data_5yi4_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 5yi4 _Structure_validation_residue.Date_analyzed 2018-01-09 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.6 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.79 -31.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.823 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.0 -27.87 43.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.476 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.26 -35.62 27.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -33.4 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.797 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -76.32 -32.05 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -52.07 37.19 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.553 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -44.25 72.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.342 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' O ' HG12 ' A' ' 25' ' ' ILE . 61.0 mttm -59.44 -51.04 71.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.52 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.72 -49.1 68.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -39.12 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.118 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.05 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.869 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 21' ' ' LYS . 15.0 mm -58.67 -51.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.54 -52.05 51.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.88 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.9 m -56.29 -27.04 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.889 0.376 . . . . 0.0 110.503 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HE2' ' CG2' ' A' ' 57' ' ' THR . 0.1 OUTLIER -70.05 -55.06 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.72 -29.38 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -50.28 47.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -68.22 -37.14 80.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -51.8 53.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -57.37 -51.29 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -36.48 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -28.29 46.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.91 -54.24 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -50.93 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.68 84.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.598 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.85 -19.96 59.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.691 0.282 . . . . 0.0 111.449 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -58.69 6.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.38 -1.63 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.466 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -85.07 -76.22 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.298 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -132.71 3.86 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.617 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' HA ' ' CD2' ' A' ' 47' ' ' LEU . 5.8 p-10 43.62 29.9 0.31 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.488 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 -35.77 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.27 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -72.8 -31.64 64.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.804 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.93 -48.33 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -66.24 -41.88 89.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -41.57 97.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.715 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.2 -43.42 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.07 -51.64 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.25 -29.34 72.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.42 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -33.35 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.721 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.409 ' O ' HG12 ' A' ' 58' ' ' VAL . 2.3 mm? -75.09 -34.83 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.02 -47.63 50.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 0.0 110.809 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.406 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 6.5 t -62.51 -48.1 81.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.474 ' CG2' HD23 ' A' ' 120' ' ' LEU . 6.1 p -59.01 -42.44 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -39.58 79.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -60.52 -45.55 93.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.557 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.471 HG23 ' HA ' ' A' ' 58' ' ' VAL . 11.9 t -71.07 -31.86 68.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.92 -33.92 71.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.636 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -71.26 -47.92 54.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 ttp -69.75 -51.47 33.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -61.66 -35.16 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.63 -42.95 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.47 -29.69 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.92 -29.89 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.61 -31.61 28.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.09 -49.1 79.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.55 -43.83 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.9 t -58.92 -47.4 85.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.44 -54.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -23.13 67.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.713 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.38 -46.76 69.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 117' ' ' VAL . 2.1 tp -69.47 -36.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.454 ' N ' HG23 ' A' ' 116' ' ' ILE . 53.9 t -58.61 -50.94 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.617 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.03 92.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.011 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.18 -32.67 73.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.474 HD23 ' CG2' ' A' ' 58' ' ' VAL . 5.7 tt -69.93 -56.89 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.446 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -31.2 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -44.75 74.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.572 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -39.19 93.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.775 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 46.0 t -64.42 -43.09 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.2 92.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.339 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.87 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.973 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.13 -41.97 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -43.63 98.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -41.55 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.765 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.3 tt -66.45 -45.98 77.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.72 81.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.81 -43.78 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.042 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.41 -41.57 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -30.8 71.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.49 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -58.89 -48.43 81.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.3 -33.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.48 -51.62 52.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -38.45 90.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -37.43 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.755 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.0 t -65.29 -35.54 81.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -48.47 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.77 -47.17 63.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.397 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -58.43 -41.08 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.379 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.94 -52.17 34.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.633 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.72 -27.1 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.453 . . . . 0.0 110.274 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HE2' ' CG2' ' A' ' 57' ' ' THR . 30.2 tttp -72.89 -54.91 7.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.051 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -38.9 79.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.07 -45.72 84.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -40.2 96.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.61 -38.9 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.04 -45.42 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -38.65 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.49 -31.33 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 tp -66.88 -50.29 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -49.68 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.46 -42.87 97.37 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.73 -24.6 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.742 0.306 . . . . 0.0 111.223 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -54.24 43.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.064 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.48 -33.45 36.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -70.75 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -150.18 117.55 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.779 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 47' ' ' LEU . 10.8 p-10 -84.47 52.96 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.62 -45.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.35 79.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -63.96 -41.67 97.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -60.3 -50.25 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.62 -42.77 86.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -60.84 -43.92 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.1 -37.44 87.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.724 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -55.01 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.688 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.77 -33.24 85.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.235 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 57' ' ' THR . 0.7 OUTLIER -68.28 -59.83 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HA ' HG21 ' A' ' 58' ' ' VAL . 2.2 mm? -53.83 -36.95 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 111.158 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.474 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 4.2 t -66.83 -30.8 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -73.26 -34.82 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.472 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.46 -46.16 77.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.313 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.29 -48.08 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.171 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 58' ' ' VAL . 4.0 t -59.17 -42.61 91.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.82 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.21 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.362 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.98 -39.5 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.96 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.0 ttp -60.19 -49.32 78.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.7 mm -64.36 -42.1 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -41.52 93.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -37.62 64.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -51.23 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.677 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.795 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.88 0.371 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.59 -36.7 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.07 -47.6 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.497 HG23 HD12 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -59.89 -43.38 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 m -65.23 -35.74 81.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.698 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.56 -57.28 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.19 -28.57 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -69.3 -46.54 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -71.07 -36.92 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.404 ' N ' HG22 ' A' ' 116' ' ' ILE . 46.8 t -58.1 -54.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.715 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.92 -41.66 99.67 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.072 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.554 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.1 tp -68.32 -52.13 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -32.59 70.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.742 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.33 -42.43 75.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.769 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.33 -54.68 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.39 -37.12 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.06 -35.95 92.64 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.155 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.793 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -49.72 71.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -63.26 -40.6 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.0 t -60.25 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.406 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -33.94 75.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.76 -44.4 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.7 88.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 67.4 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.727 179.8 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.553 0.216 . . . . 0.0 111.429 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.1 p -48.29 -27.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.405 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.75 -32.49 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -39.58 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.07 -44.55 94.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.785 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 t -64.06 -34.36 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.17 -51.66 42.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.389 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.59 -39.81 94.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -66.25 -40.96 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -62.81 -37.68 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.83 -44.33 85.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.716 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.75 73.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.72 -44.53 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.27 -52.27 42.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.8 m -56.91 -27.28 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.091 0.472 . . . . 0.0 110.125 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -46.52 66.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.748 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.34 -36.66 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.41 -50.0 71.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.47 -29.91 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.48 -52.25 23.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.04 -44.17 94.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.33 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -82.2 -29.79 31.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.52 -54.2 26.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.37 -39.14 82.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.12 -52.37 18.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.15 -21.55 66.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.418 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.75 7.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.281 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -80.56 -30.32 37.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -76.52 -75.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -129.56 104.98 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.402 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -66.04 -14.03 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.12 -29.7 19.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.782 0.325 . . . . 0.0 111.034 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.36 -31.29 63.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -67.42 -50.27 60.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.776 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -38.74 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.423 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 12.5 t -63.92 -45.91 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.814 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.62 -41.2 98.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -34.36 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 110.019 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.57 -36.27 82.96 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.073 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -72.66 -29.74 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.02 -40.48 68.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.44 -47.4 60.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 t -62.96 -46.79 86.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.696 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.449 ' CG2' HD22 ' A' ' 120' ' ' LEU . 6.0 p -64.91 -37.58 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -34.94 76.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.153 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -69.2 -45.24 70.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.48 HG23 ' N ' ' A' ' 62' ' ' LEU . 1.3 t -64.61 -33.96 77.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.837 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.48 ' N ' HG23 ' A' ' 61' ' ' THR . 8.4 mt -76.02 -32.41 59.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.03 -36.39 82.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.378 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.55 61.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 ttp -62.04 -50.36 72.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tp -59.82 -44.71 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -34.53 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' CD2' ' CB ' ' A' ' 113' ' ' ALA . 11.4 mt -74.38 -34.03 63.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.785 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.79 0.328 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.97 -28.88 32.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.44 -48.38 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 pp -55.35 -40.61 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.5 t -63.81 -34.68 78.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 0.0 110.755 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -72.76 -52.75 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.406 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -40.18 81.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.219 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -63.32 -46.5 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.427 HG21 ' O ' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -65.25 -36.71 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.124 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.8 t -58.95 -52.06 65.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.726 0.298 . . . . 0.0 110.534 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.88 -46.25 92.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.852 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -36.01 82.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 110.309 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' A' ' 58' ' ' VAL . 6.7 tt -61.71 -56.98 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -32.48 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -38.9 91.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.724 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -54.88 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.13 -39.35 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.593 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.38 96.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.79 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.77 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -41.71 88.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.42 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.85 -48.85 67.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.598 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -44.4 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.734 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -38.07 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.12 -40.62 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.46 86.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.46 94.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.798 0.332 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 p -56.85 -32.77 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -61.23 -31.76 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.61 -48.19 56.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.78 -48.67 79.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 t -67.63 -30.24 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -51.68 30.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.716 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -69.6 -46.7 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.41 -37.79 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -41.59 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.54 74.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 25' ' ' ILE . 1.4 mp -60.55 -46.56 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.11 -52.03 47.99 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.597 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -56.67 -27.19 25.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 0.0 110.218 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -54.09 19.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.015 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.87 -31.15 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.67 -50.33 18.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -30.38 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.6 -52.99 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -61.27 -42.78 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.99 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.69 -35.03 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -81.57 -28.34 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -68.94 -39.59 79.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -52.21 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.02 -44.7 60.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.513 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.3 -26.46 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.209 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -56.55 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.44 -30.94 37.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -68.36 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -156.79 119.16 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.61 -23.46 67.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -31.56 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -51.16 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.21 -31.94 68.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.23 -49.01 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -65.36 -47.36 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -45.47 91.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.711 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -33.76 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -58.79 -50.24 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.74 -29.13 61.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.185 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.35 79.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.963 0.411 . . . . 0.0 110.662 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.16 -36.02 48.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.631 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -66.79 -44.31 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.72 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 t -68.13 -45.46 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.796 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 61' ' ' THR . 0.3 OUTLIER -62.25 -34.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.769 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -66.67 -45.46 78.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.434 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.44 -49.28 56.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.235 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 58' ' ' VAL . 5.2 t -56.59 -45.15 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.107 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.418 ' CD1' ' CG2' ' A' ' 117' ' ' VAL . 4.1 mm? -67.94 -34.41 76.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.78 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -41.2 99.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.551 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.8 -39.08 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.852 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 ttp -64.54 -51.4 63.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.766 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tt -59.27 -36.03 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -38.14 80.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.583 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -76.62 -26.64 55.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.987 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.34 -25.01 36.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.342 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.259 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.768 0.318 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.2 -35.85 63.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -67.71 -49.17 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -66.62 -44.71 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.8 t -62.93 -32.67 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.409 ' O ' HG13 ' A' ' 116' ' ' ILE . . . -71.2 -39.24 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -30.58 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -71.33 -46.91 59.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.44 HD13 ' CG2' ' A' ' 117' ' ' VAL . 2.5 pp -63.85 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.44 ' CG2' HD13 ' A' ' 116' ' ' ILE . 25.1 t -57.89 -55.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.861 0.363 . . . . 0.0 110.217 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.16 -27.3 59.93 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.642 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -74.82 -46.25 37.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.58 0.228 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.402 HD12 ' CG2' ' A' ' 58' ' ' VAL . 2.7 pp -73.5 -47.75 38.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 111.031 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -45.34 91.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.1 ttm-85 -61.09 -46.79 89.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.93 -37.35 76.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.518 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.8 t -68.74 -37.68 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.78 -49.56 77.25 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.231 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.22 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.22 -42.78 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.772 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -39.41 93.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -47.18 87.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.61 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.741 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.94 -45.53 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.686 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.7 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.5 64.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.775 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.817 0.342 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -63.12 -26.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -81.62 -32.14 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.82 86.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.81 -40.22 91.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.14 -34.55 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.71 -51.66 52.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.206 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.25 -45.45 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.367 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -59.38 -51.18 71.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.613 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.78 -45.03 70.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -45.1 77.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.81 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.24 -51.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.19 53.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.96 -27.06 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.094 0.473 . . . . 0.0 110.088 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -55.07 10.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.49 -32.94 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -50.26 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -67.98 -38.63 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.84 -39.66 93.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -33.32 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -31.33 26.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tp -69.68 -39.36 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.4 mt -72.4 -51.08 21.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.71 -49.59 75.98 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.614 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -28.9 69.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.371 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -59.26 4.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -30.21 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 m -73.7 -63.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.417 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -162.22 126.09 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.68 51.4 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.139 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.98 -45.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.25 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' A' ' 48' ' ' PHE . 3.4 pp -58.87 -41.52 87.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' A' ' 47' ' ' LEU . 10.0 m-85 -65.83 -37.44 86.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -44.58 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.9 m -62.42 -44.12 97.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -38.26 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.654 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -55.54 33.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.08 -28.96 73.94 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.193 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -33.89 61.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.675 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -76.38 -34.94 58.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -73.88 -47.32 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.504 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.2 t -61.13 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.17 -34.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.399 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.62 77.39 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.48 -32.8 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.0 m -60.9 -45.3 95.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.476 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.46 -48.55 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.445 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -41.15 91.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.608 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -38.44 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt -71.84 -37.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.94 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -53.54 42.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -30.62 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.3 -60.06 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.764 0.316 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.46 -41.24 18.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -74.78 -39.06 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -55.76 -45.59 79.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -32.83 74.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' O ' HG22 ' A' ' 116' ' ' ILE . . . -65.05 -46.43 81.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.804 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.54 -28.89 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -66.24 -46.66 76.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.444 HG21 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -68.69 -36.78 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.984 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.6 t -58.1 -49.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.611 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.29 90.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.975 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -35.34 78.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.486 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.35 -56.78 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.678 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -33.23 64.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.21 -46.2 74.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.34 -43.98 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 30.6 t -62.56 -39.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.77 95.17 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.319 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.83 -38.43 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -49.66 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -31.37 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.628 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.4 p -70.67 -39.34 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.559 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -33.45 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.99 -49.0 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.03 90.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.47 82.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.779 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.459 HG21 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.49 -44.99 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -31.67 72.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.15 -37.24 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.15 -45.71 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.28 -41.13 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.68 -51.79 53.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -43.47 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.599 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 25' ' ' ILE . 50.4 mttm -58.48 -49.9 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.636 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.88 -49.03 69.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.95 -40.22 66.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.98 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.763 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 21' ' ' LYS . 33.5 mm -58.17 -51.4 71.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.75 -52.39 53.43 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.547 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.7 t -57.72 -27.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.117 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -72.41 -55.02 7.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.104 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.95 -27.41 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -50.15 41.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.27 -38.75 85.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.659 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.83 -37.67 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -47.34 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -81.0 -39.81 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.28 -47.44 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -50.82 72.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.401 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -67.65 -40.53 90.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.538 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.65 -16.84 61.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.483 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -58.74 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.338 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 42' ' ' SER . 49.6 p90 -79.99 -48.96 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.392 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 5.2 p -96.71 128.26 43.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 95.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 -13.59 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -85.46 -33.43 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.6 pp -62.88 -35.88 81.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.78 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -58.98 -50.33 74.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.55 -44.82 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -56.05 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -40.38 96.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.44 -37.86 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.56 -38.19 68.48 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.155 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -69.82 -29.82 67.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 58' ' ' VAL . 5.2 mt -77.1 -34.94 56.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.308 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -70.5 -47.61 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.099 0.476 . . . . 0.0 110.507 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -63.05 -46.52 87.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.99 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.467 ' CG2' HD21 ' A' ' 120' ' ' LEU . 6.1 p -61.13 -44.41 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.678 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' HG11 ' A' ' 58' ' ' VAL . 13.3 ttmt -58.14 -34.76 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -65.07 -44.42 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.457 HG21 ' N ' ' A' ' 62' ' ' LEU . 6.0 t -70.8 -30.21 66.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.457 ' N ' HG21 ' A' ' 61' ' ' THR . 1.1 mm? -70.22 -46.33 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.302 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -64.07 -36.21 83.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.529 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.19 92.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 ttp -58.73 -54.99 40.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 tt -58.19 -32.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -43.46 95.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.43 -33.85 58.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -61.29 -38.43 86.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.875 0.369 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.33 -30.52 27.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.995 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -47.15 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 mp -64.66 -45.99 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.4 t -59.36 -51.36 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.75 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.4 -54.47 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -27.4 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.33 -30.78 66.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 25.2 mm -73.07 -48.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.71 -42.04 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -63.4 -58.13 12.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -39.02 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 58' ' ' VAL . 5.7 tt -60.91 -55.87 27.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -33.97 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -64.59 -40.09 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -53.42 55.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.592 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.14 -33.23 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.805 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.53 -53.47 45.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.355 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.73 85.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.64 -44.25 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.27 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -35.29 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -65.9 -41.15 91.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.724 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.1 tt -64.2 -49.22 72.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.718 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.66 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.59 -55.1 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -61.02 -39.67 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -73.3 -33.27 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.53 74.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.36 -41.08 92.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.8 -30.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.75 -51.68 39.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.73 -34.21 77.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -68.24 -30.09 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.766 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 t -76.14 -38.44 56.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -70.15 -47.35 62.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.01 74.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.6 tp -58.26 -39.34 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -52.56 46.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.019 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.74 -27.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 109.883 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HE2' ' CB ' ' A' ' 57' ' ' THR . 39.5 tttp -70.74 -54.85 10.17 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -30.77 71.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.026 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -46.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -63.36 -43.69 96.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -44.9 95.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.53 -49.73 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.39 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.222 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tt -73.12 -42.76 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.154 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -52.16 -50.39 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.06 -52.84 16.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.677 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.55 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.635 0.255 . . . . 0.0 111.498 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.411 ' O ' ' CE ' ' A' ' 40' ' ' MET . 7.0 tpt -51.52 -59.66 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' HA2' ' A' ' 38' ' ' GLY . 29.3 p90 -80.69 -30.31 36.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.247 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -70.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.221 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.02 107.1 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -83.26 53.27 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 -43.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.604 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -33.9 72.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -34.85 66.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.36 -50.26 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.653 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.59 -43.22 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.1 p -63.18 -35.89 81.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -46.01 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.626 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -57.84 -53.75 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.61 -51.35 54.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -37.89 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.786 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.91 -45.71 88.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -33.03 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.424 ' CB ' ' HE2' ' A' ' 28' ' ' LYS . 87.3 m -65.64 -53.74 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.798 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.451 ' O ' HG22 ' A' ' 61' ' ' THR . 13.2 p -67.84 -34.78 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.979 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -69.84 -45.48 67.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.171 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.28 -42.67 75.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.654 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 58' ' ' VAL . 2.5 t -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' CD1' HG23 ' A' ' 117' ' ' VAL . 17.9 mt -68.77 -35.98 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -60.72 -41.09 94.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.55 79.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.7 ttp -61.58 -47.0 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 mt -61.53 -46.36 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.3 -34.58 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.692 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -75.83 -30.35 58.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.739 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.41 -33.06 64.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.7 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.862 0.363 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.73 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -49.05 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.55 -34.66 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -66.66 -39.03 88.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.976 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.67 -38.83 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.281 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.03 -33.95 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.577 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -74.63 -37.07 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.718 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.42 HG21 HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.37 -45.19 76.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.635 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.42 HG23 ' CD1' ' A' ' 62' ' ' LEU . 6.9 p -59.64 -47.88 89.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.88 0.371 . . . . 0.0 110.424 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.55 -35.59 91.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.864 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -69.02 -38.24 79.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 110.64 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.4 -56.23 24.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.72 -40.27 75.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -60.86 -46.72 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.177 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -62.0 -38.74 89.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 44.5 t -64.8 -41.4 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.602 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.52 95.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.107 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.91 -34.2 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.1 -47.41 65.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.03 -29.51 69.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 t -66.68 -49.16 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.83 -40.87 96.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.683 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.0 -39.46 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.623 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.63 81.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.726 179.761 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.828 0.346 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 p -54.29 -28.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.4 t -73.84 -30.94 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.85 75.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -70.41 -31.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.18 -51.58 13.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -36.23 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.54 -41.9 87.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.2 t -60.98 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.94 -43.85 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.96 84.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 tp -59.39 -40.83 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.63 -52.08 27.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.34 -27.39 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.944 0.402 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -53.03 16.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.964 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.89 -31.36 70.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.993 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -49.58 69.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.624 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.76 -37.57 87.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.91 -44.21 77.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.92 -45.77 86.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -44.26 96.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -30.43 66.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -53.73 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -55.78 -53.79 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.085 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.55 -50.33 67.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.22 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -52.49 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.44 -28.64 37.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -79.87 -66.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -122.38 -143.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.562 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -158.45 -41.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.23 -20.64 51.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.04 64.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.384 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.3 -32.64 73.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.696 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -60.82 -50.94 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -37.79 76.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.28 -43.36 98.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.696 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.99 -52.76 64.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.024 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.45 -36.94 93.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.14 -35.96 71.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.079 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -44.96 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.974 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.34 -43.49 98.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 0.0 110.352 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.8 m -56.78 -56.59 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.592 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.457 ' CG2' HD23 ' A' ' 120' ' ' LEU . 12.2 p -58.99 -34.73 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.61 -47.17 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.91 -33.28 74.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.178 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.2 m -62.86 -52.4 63.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' CD2' ' CG2' ' A' ' 58' ' ' VAL . 3.4 mm? -59.63 -43.06 93.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.05 -40.22 97.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.97 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 ttp -59.63 -48.36 81.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.5 mt -66.98 -42.23 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.4 -36.97 85.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -50.52 56.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.63 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.745 0.307 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.46 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.81 -46.18 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 t -64.46 -42.61 95.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.91 -50.23 74.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.16 -28.26 66.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -46.52 75.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -69.94 -36.97 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.938 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.4 ' N ' HG23 ' A' ' 116' ' ' ILE . 70.8 t -58.62 -53.3 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.493 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.83 99.29 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.754 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -34.81 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.391 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 58' ' ' VAL . 3.9 tt -67.09 -57.04 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.62 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -60.63 -52.71 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.87 -41.16 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.14 87.12 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.55 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.94 -36.43 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.86 -48.54 68.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m -64.58 -32.76 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -68.11 -45.94 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.33 -46.81 87.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.91 94.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.77 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.794 0.331 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.58 -44.79 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.8 m -63.11 -31.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.29 92.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.25 -43.73 95.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.08 -37.23 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.55 56.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.4 -34.36 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.78 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -66.14 -41.25 90.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.404 ' O ' HG23 ' A' ' 25' ' ' ILE . 49.0 t -66.1 -38.74 88.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -68.17 -40.19 82.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.58 -41.11 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.288 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 22' ' ' CYS . 3.5 tp -62.32 -35.34 68.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.031 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.24 -52.25 7.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.383 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.5 m -56.7 -27.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.046 0.45 . . . . 0.0 110.207 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -71.97 -53.47 12.93 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.738 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.59 -30.12 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -49.98 64.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.25 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -68.19 -35.91 78.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.733 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.44 -46.36 76.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.97 -33.15 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.06 -31.74 27.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.46 -34.04 69.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -53.27 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.79 -31.52 70.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.12 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.639 0.257 . . . . 0.0 111.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -55.57 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.23 -52.66 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -90.24 151.58 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.933 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.428 ' O ' ' CB ' ' A' ' 44' ' ' ASP . 8.4 m-70 64.51 -75.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 5.0 t70 82.21 -51.1 0.22 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.68 -26.59 67.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.71 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -58.85 -32.02 69.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.987 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -67.91 -50.16 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -66.98 -41.99 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.6 p -62.02 -44.61 96.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.47 -36.64 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -56.71 18.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.94 92.75 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.29 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -39.34 80.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.626 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.72 -35.33 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.12 -42.0 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.0 m -59.51 -53.52 57.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.647 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.407 HG23 HD23 ' A' ' 120' ' ' LEU . 8.5 p -59.96 -38.08 75.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.808 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -54.39 -47.43 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.423 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.19 -29.6 67.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.453 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.7 m -66.63 -51.34 57.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.82 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.86 -43.74 97.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -61.72 -38.39 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.29 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.23 -39.77 89.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.4 mt -70.44 -39.68 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.42 -39.37 77.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.19 -47.83 40.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.796 0.332 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.86 -43.47 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.4 mmm-85 -60.97 -49.0 79.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.01 -45.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.9 t -63.22 -37.29 86.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 116' ' ' ILE . . . -62.9 -48.2 80.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.14 -24.89 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.6 -46.39 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.22 -38.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.306 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.77 -51.25 74.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.07 -43.57 98.97 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.034 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -38.05 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.495 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.407 HD23 HG23 ' A' ' 58' ' ' VAL . 1.9 tt -63.92 -54.58 32.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -33.15 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.77 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -48.82 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -60.09 -48.73 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.754 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.62 -33.81 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.75 -51.37 59.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.336 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -45.7 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.56 99.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.0 m -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -65.17 -40.93 94.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.89 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.39 73.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.51 -53.73 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.477 HD13 HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.84 -34.05 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.2 t -69.43 -31.21 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.88 -31.18 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.55 -50.77 70.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -58.68 -30.39 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.08 -51.86 21.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -66.59 -35.11 79.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -69.01 -51.31 40.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.03 -35.94 69.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.64 -46.33 72.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.395 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.2 mm -61.01 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.29 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.54 -52.33 40.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.675 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.86 -27.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.114 0.483 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HE2' ' CG2' ' A' ' 57' ' ' THR . 54.2 tttp -74.73 -55.02 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -29.23 70.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -47.67 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.641 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.42 -35.08 79.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.92 -43.19 83.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -48.97 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.072 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.28 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -28.32 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -73.08 -37.52 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.61 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 -44.3 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.8 -24.21 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -59.06 3.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -29.58 37.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -81.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.142 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.03 90.55 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.74 -23.68 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.2 -24.36 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.337 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.91 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 111.541 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -35.52 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.166 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.43 -50.15 72.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -71.29 -32.27 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -47.82 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -42.94 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.67 -54.6 44.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.3 -31.28 74.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.69 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.47 -30.4 57.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.728 0.299 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.2 -35.12 59.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -73.0 -47.02 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 110.547 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.401 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -60.72 -49.33 77.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' HA ' HG23 ' A' ' 61' ' ' THR . 11.7 p -60.02 -44.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -54.9 -39.76 69.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.467 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -45.02 89.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 58' ' ' VAL . 4.3 t -67.95 -34.66 77.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.09 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -70.05 -32.29 70.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.79 -55.02 16.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.3 ptm -58.0 -49.52 76.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.283 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.1 tt -58.68 -36.08 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.69 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -61.81 -31.79 72.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.26 -45.23 81.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.857 0.361 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.36 -45.91 13.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -46.51 71.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.5 HG22 HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -62.1 -44.51 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 t -70.34 -36.47 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.93 -38.05 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.38 -32.61 55.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.09 -42.18 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.435 HG21 HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -70.06 -45.73 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.274 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' A' ' 116' ' ' ILE . 7.4 p -58.07 -45.46 88.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.706 0.289 . . . . 0.0 110.514 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.4 94.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.791 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.21 -31.13 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.658 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.52 -56.59 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -37.57 82.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -55.78 -48.58 75.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -33.93 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.29 -45.33 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.652 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.36 -45.49 96.33 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.123 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.97 93.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.16 -39.99 71.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 m -65.13 -42.44 93.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -35.61 76.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.747 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.1 tt -69.72 -55.09 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.79 74.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.89 -35.4 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.43 HG22 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.28 -38.51 79.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.7 m -74.76 -35.24 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.4 -41.53 94.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.9 -32.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.46 -51.86 34.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.292 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.92 -44.4 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.351 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 25' ' ' ILE . 24.8 mttt -57.7 -47.82 81.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.417 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.9 -46.55 71.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -36.09 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.26 -35.07 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 21' ' ' LYS . 45.8 mm -62.49 -51.2 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.47 52.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.403 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.92 -27.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.071 0.462 . . . . 0.0 110.066 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -54.89 6.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.965 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.01 -32.41 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -49.65 60.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -66.74 -34.83 78.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.9 tp -68.17 -43.78 77.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.732 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.7 -49.78 76.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -36.75 78.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.79 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -76.67 -32.05 57.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.77 -41.86 99.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.791 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.63 -41.94 95.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -49.91 58.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.73 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.055 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.63 85.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -80.49 -31.06 37.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -77.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -145.87 -82.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 176.0 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.06 -42.18 84.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.37 -32.93 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.41 -51.1 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -66.81 -39.25 87.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.799 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -52.24 66.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -39.56 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.777 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.13 -37.64 78.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.77 -56.63 19.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.23 -35.69 92.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.436 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -47.94 72.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.833 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.9 -34.77 75.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -66.38 -41.96 88.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.555 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.1 m -63.48 -54.48 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG2' ' CD2' ' A' ' 120' ' ' LEU . 1.0 OUTLIER -56.88 -34.61 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -66.41 -38.84 88.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -69.35 -45.31 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.409 HG21 ' O ' ' A' ' 58' ' ' VAL . 2.0 t -64.03 -41.17 97.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.138 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.34 -49.47 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -57.08 -40.52 77.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.66 84.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -46.42 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.88 -39.32 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -41.04 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.738 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -34.93 62.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.57 -42.64 70.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.799 0.333 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.64 -29.27 33.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -49.19 76.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -34.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.013 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -61.05 -52.87 63.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -66.12 -51.09 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.54 -49.09 78.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.85 -39.21 73.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 9.6 mm -60.6 -47.44 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.744 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 16.0 t -57.78 -46.73 87.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.36 -50.31 66.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.298 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -40.55 97.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.409 ' CD2' ' CG2' ' A' ' 58' ' ' VAL . 3.4 tt -63.19 -52.78 60.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -34.55 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -69.41 -40.77 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -44.24 79.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.588 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.1 t -64.99 -40.24 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.43 91.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.176 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.56 98.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.4 tt -68.74 -40.26 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -43.79 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -35.14 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.653 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -64.58 -41.83 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.3 tt -68.42 -38.86 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.684 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.8 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 -39.97 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 179.802 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.69 0.281 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -56.21 -34.55 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.115 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -64.92 -43.16 93.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.52 80.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -59.13 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -61.93 -30.6 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.96 -51.83 42.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.5 -48.72 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 110.455 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -50.44 73.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -53.91 -41.8 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.93 -40.51 89.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.407 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.9 85.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.15 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.6 mm -59.57 -46.82 92.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.25 -52.41 44.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.581 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 m -56.87 -28.57 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.139 0.495 . . . . 0.0 110.063 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.97 -54.88 6.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.846 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.5 -30.04 71.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.46 -50.31 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.382 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.594 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.22 -43.48 70.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.87 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.93 -36.11 83.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -79.55 -30.6 41.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tp -66.24 -56.36 11.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.27 -58.04 10.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -22.05 66.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.696 0.284 . . . . 0.0 111.235 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.446 ' O ' ' CE ' ' A' ' 40' ' ' MET . 6.8 tpt -60.33 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.62 -30.49 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -70.92 -75.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -114.8 -143.34 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.438 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.44 -43.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.12 -22.96 51.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.945 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -50.92 69.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.269 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 pp -66.32 -38.92 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.795 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.33 -48.1 81.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.737 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -58.91 -37.22 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.764 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -49.74 76.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.94 92.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.166 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.21 -31.93 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.75 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.83 -40.32 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.19 -36.4 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.2 m -65.27 -53.41 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.439 ' HA ' HG23 ' A' ' 61' ' ' THR . 1.5 p -60.04 -34.9 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.02 0.438 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -63.7 -43.0 97.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.772 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.44 -49.66 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 58' ' ' VAL . 4.9 t -60.79 -30.87 70.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.22 -42.99 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -63.12 -33.24 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.64 -44.96 61.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.8 ttp -60.5 -42.57 96.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mt -69.57 -40.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -32.81 58.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -49.76 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.778 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.5 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.06 -54.19 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -59.59 -45.84 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.451 HG23 HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -64.82 -44.89 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.0 t -66.95 -34.19 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.766 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.418 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -68.99 -50.88 45.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -28.55 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -70.33 -46.55 63.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.472 HD11 HG23 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -67.54 -37.92 79.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.53 -53.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.59 99.61 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.084 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.68 -33.83 74.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.675 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.4 HD21 ' CG2' ' A' ' 58' ' ' VAL . 6.9 tt -61.02 -56.82 16.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -31.71 72.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -57.93 -45.33 86.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.314 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.25 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.47 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.686 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.6 62.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.072 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.11 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.84 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.03 -46.61 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.684 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -49.21 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.6 p -64.53 -39.23 93.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -39.83 94.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.782 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.09 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.26 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.99 -44.46 69.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.7 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 HG23 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.876 0.37 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p -63.54 -33.82 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -70.61 -31.24 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.62 -47.0 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 t -69.21 -33.08 56.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.98 -51.71 43.26 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.47 -34.03 77.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.903 0.382 . . . . 0.0 110.821 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -75.07 -37.29 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.7 t -63.93 -40.11 95.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -71.02 -51.87 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.32 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 tp -58.14 -38.67 69.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.19 -52.25 53.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.869 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.58 -27.39 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.188 0.518 . . . . 0.0 109.763 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HE2' HG22 ' A' ' 57' ' ' THR . 3.4 tmtm? -62.99 -55.11 28.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.069 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -34.34 74.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.39 -50.2 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -62.5 -32.02 72.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.572 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' A' ' 51' ' ' LEU . 1.6 mt -60.05 -52.68 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.64 -37.39 86.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -31.52 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -47.74 84.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.22 -39.86 94.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.406 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -69.76 -50.43 30.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.683 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.84 -13.84 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.502 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -53.83 50.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 42' ' ' SER . 23.5 p90 -80.49 -41.82 23.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.437 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 68.9 p -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.85 102.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -83.79 -19.19 35.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.349 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -82.84 -32.64 27.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.847 0.356 . . . . 0.0 110.773 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.95 -33.04 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.696 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -58.99 -50.25 74.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -67.49 -49.43 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.435 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -52.72 -47.12 67.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.584 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 2.7 mm? -62.84 -35.93 81.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.296 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -56.31 -41.17 75.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.939 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.2 -39.98 71.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.04 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -59.95 -40.71 89.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 0.0 110.643 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -72.42 -34.73 68.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.904 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -64.77 -34.12 77.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.436 HG22 ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -79.47 -42.19 25.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 61' ' ' THR . 6.2 p -66.83 -34.63 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.427 . . . . 0.0 110.607 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -73.43 -43.28 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.32 -41.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.754 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 58' ' ' VAL . 7.1 t -64.96 -44.2 90.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.414 ' CD1' HG22 ' A' ' 117' ' ' VAL . 13.4 mt -62.94 -35.43 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.1 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.182 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.77 97.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.578 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 ttp -59.78 -52.51 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.762 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 mt -58.86 -30.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 tp -70.72 -33.33 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -37.26 56.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -73.77 -28.1 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.7 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.886 0.374 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.39 -34.88 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.03 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -60.77 -48.94 79.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.74 -44.85 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.6 t -65.61 -42.94 91.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.38 -28.09 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.38 -46.57 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.53 -46.57 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' A' ' 62' ' ' LEU . 7.6 p -60.86 -43.96 96.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.96 -39.69 95.0 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.621 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.55 -36.34 80.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.925 0.393 . . . . 0.0 110.256 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.3 -50.4 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.489 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -40.87 91.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -47.09 87.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 38.3 t -69.46 -34.06 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.71 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.76 -39.86 98.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.192 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.77 63.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 110.788 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.92 -49.31 62.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.719 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -34.58 78.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.7 m -60.12 -51.14 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -68.05 -30.54 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.07 -55.31 35.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.67 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.14 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.996 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.91 -36.79 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -75.37 -31.87 60.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -33.74 74.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.59 -32.76 70.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.15 -35.62 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.79 54.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.268 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -67.37 -46.71 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.4 . . . . 0.0 110.485 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' O ' HG12 ' A' ' 25' ' ' ILE . 33.5 mttt -57.4 -51.29 70.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.576 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.97 -43.48 69.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.38 -34.93 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.373 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.0 -38.95 66.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.947 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 21' ' ' LYS . 39.4 mm -61.46 -35.34 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -52.07 6.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.8 m -56.51 -27.26 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.403 . . . . 0.0 110.321 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -74.86 -53.85 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.844 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.09 -35.62 71.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -50.12 53.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.759 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.68 -45.32 93.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.742 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.63 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.58 -50.96 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.76 -35.85 79.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -31.67 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -46.72 78.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -53.19 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.23 95.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.32 -17.87 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.65 0.262 . . . . 0.0 111.397 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -58.07 9.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -79.89 -37.73 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -93.31 100.32 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t60 59.96 106.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -80.27 -26.52 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.55 -33.23 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.011 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.27 71.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -69.45 -47.15 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -62.1 -46.72 87.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -46.61 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.71 -33.66 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.741 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -52.61 64.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.37 -30.24 67.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.384 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.64 -32.87 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 58' ' ' VAL . 2.7 mm? -76.92 -34.94 57.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -69.52 -47.34 64.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 t -63.94 -48.93 74.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' HA ' HG23 ' A' ' 61' ' ' THR . 1.5 p -59.44 -34.79 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.774 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -36.33 80.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.193 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.54 98.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.653 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.43 HG23 ' HA ' ' A' ' 58' ' ' VAL . 14.4 t -71.61 -31.34 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -43.89 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -71.44 -35.38 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.94 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.3 ttp -69.1 -51.26 40.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.5 tt -58.6 -34.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.32 -38.16 71.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -73.82 -31.55 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.83 -53.97 6.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.775 0.322 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.77 -29.96 36.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -67.26 -49.16 65.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -60.66 -34.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.73 -42.37 86.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.33 67.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.298 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.64 -33.49 47.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -74.2 -37.62 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.464 HD11 HG22 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -71.98 -44.78 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.819 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 116' ' ' ILE . 29.7 m -60.17 -45.72 95.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.869 0.366 . . . . 0.0 110.336 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.11 -41.38 99.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.554 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -33.24 73.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.117 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.47 -56.83 14.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.478 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -56.42 -40.43 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -58.79 -43.11 90.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -39.65 88.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.553 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.2 t -62.97 -43.71 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.86 -49.44 78.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.288 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.85 85.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 tt -70.1 -42.34 72.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.665 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -42.61 97.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.1 m -63.9 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.701 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.1 -41.67 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.54 -47.6 75.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.722 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.43 80.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.644 179.836 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.807 0.337 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -63.19 -40.28 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.072 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -73.33 -30.94 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.26 -37.33 57.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.0 -45.55 86.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.6 -29.32 30.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.58 41.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.631 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.21 -34.06 70.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.933 0.397 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -68.4 -48.5 64.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.96 -37.09 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.16 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -51.94 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.388 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.08 -47.91 72.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 tp -58.18 -36.95 59.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.14 -52.24 46.12 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.062 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.8 t -57.43 -27.22 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.08 0.467 . . . . 0.0 109.978 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -69.2 -54.86 12.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.052 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -42.36 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -45.95 92.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.81 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.812 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.42 -46.11 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.21 -40.63 90.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.06 87.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.05 -35.02 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.08 -40.72 90.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -57.04 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.24 68.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.57 67.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.349 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -59.13 5.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.818 0.342 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.11 -26.6 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -58.13 -54.21 49.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 -36.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.7 t70 76.91 15.51 1.92 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.104 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -114.82 -42.38 3.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 110.369 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.76 83.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.772 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.22 -32.85 73.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.446 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.645 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -51.78 66.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.627 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -40.67 88.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.569 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.17 84.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.98 -30.15 70.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.241 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -31.74 61.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.789 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.12 -34.9 56.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.86 -46.1 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 t -63.83 -51.1 66.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 61' ' ' THR . 11.7 p -57.69 -39.93 72.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -63.87 -39.64 94.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.432 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -38.13 77.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.983 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 62' ' ' LEU . 1.4 t -71.56 -30.64 66.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.799 0.333 . . . . 0.0 110.968 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' N ' HG22 ' A' ' 61' ' ' THR . 24.2 mt -78.11 -34.28 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -36.3 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.432 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.12 65.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.693 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttp -59.69 -51.06 71.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.816 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -39.13 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.1 -31.5 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -33.83 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.64 -56.98 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.784 0.326 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.37 -42.66 20.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -76.82 -42.22 41.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -60.41 -43.04 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 52.0 p -63.77 -39.42 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.67 -52.62 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.33 -25.36 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.725 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.02 -46.58 70.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -68.65 -36.68 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.738 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.45 ' N ' HG21 ' A' ' 116' ' ' ILE . 43.4 t -59.03 -48.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.627 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.1 96.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.934 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.93 83.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.73 -53.47 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -35.89 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -65.38 -52.7 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.548 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -59.93 -44.6 94.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.453 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 32.8 t -66.41 -34.79 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.768 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.16 48.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.302 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.16 93.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.674 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.58 -33.55 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.64 -45.05 65.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.847 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -44.36 95.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -39.76 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -45.06 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.05 89.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.74 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -62.9 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.4 p -76.01 -36.99 58.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.82 89.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.64 -33.49 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.674 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 t -69.65 -37.07 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.79 47.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.377 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.17 -48.04 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.599 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -60.0 -49.55 77.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.574 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.0 t -53.87 -39.81 66.0 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -47.74 85.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.71 -35.42 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.401 ' CG2' HD13 ' A' ' 120' ' ' LEU . 25.9 mm -62.6 -42.83 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.28 31.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.367 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.2 m -56.98 -27.44 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.09 0.471 . . . . 0.0 110.18 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -72.36 -55.02 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.022 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.21 -29.39 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.26 -50.31 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.326 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -66.7 -31.01 71.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.676 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.45 -41.41 89.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.18 -42.43 79.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.94 -31.97 73.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -83.78 -38.54 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.12 -47.94 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -45.22 93.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.11 -49.35 34.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.579 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.91 -21.41 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.436 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -59.32 5.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 42' ' ' SER . 7.5 p90 -80.61 -29.65 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 28.2 t -73.74 -76.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.056 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.54 113.96 6.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.37 -18.57 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.207 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.95 -33.1 65.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.01 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.05 -34.92 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.421 ' CE1' HD23 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -60.46 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.792 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.64 -51.15 68.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.9 m -59.35 -40.34 86.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -38.44 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.69 -56.38 22.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.07 82.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.112 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.98 93.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.713 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.06 -43.39 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.803 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -63.88 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.9 m -68.63 -56.95 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 61' ' ' THR . 6.2 p -62.88 -36.48 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -62.07 -38.84 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.271 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.88 -45.51 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.673 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 58' ' ' VAL . 3.7 t -69.85 -27.26 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.713 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -47.98 72.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -38.89 90.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.574 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 ttp -59.94 -49.6 77.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.3 pt -68.35 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.97 -41.33 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -39.91 68.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.21 -57.07 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.24 -28.28 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.24 14.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 1.1 pp -64.74 -38.52 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 t -62.75 -40.32 96.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.92 -50.89 20.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.484 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.1 -38.31 87.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.282 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 111' ' ' ILE . 1.4 t30 -65.61 -46.43 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.125 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -63.29 -36.89 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.24 . . . . 0.0 110.787 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.419 ' N ' HG23 ' A' ' 116' ' ' ILE . 58.2 t -60.24 -52.15 64.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.0 86.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.998 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -76.78 -29.11 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.401 HD13 ' CG2' ' A' ' 25' ' ' ILE . 6.9 tp -67.56 -52.38 39.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.946 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.531 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 3.9 ptm180 -55.74 -45.49 77.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.93 0.395 . . . . 0.0 110.022 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.11 96.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.702 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.88 -35.99 76.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.493 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.03 -50.22 67.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.038 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -40.56 86.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.558 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 tp -69.53 -36.66 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -50.26 70.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.602 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -38.82 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.558 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -63.43 -34.36 77.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -68.03 -45.82 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.95 91.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.984 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.656 179.786 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.342 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.81 -38.71 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 m -68.44 -31.81 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.59 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.65 -37.36 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.95 -34.72 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.18 -51.73 41.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.294 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.22 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.314 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' O ' HG12 ' A' ' 25' ' ' ILE . 51.6 mttt -58.41 -51.28 70.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -53.84 -46.29 71.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -55.69 -39.75 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.331 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.2 84.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.902 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 21' ' ' LYS . 47.5 mm -59.51 -48.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.53 -52.38 49.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.509 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.3 m -58.05 -27.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HE2' ' CG2' ' A' ' 57' ' ' THR . 1.5 tptp -74.8 -53.91 8.29 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.989 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.81 -30.38 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -50.29 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.438 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.28 69.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tt -70.11 -47.65 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.38 -49.55 77.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.68 -35.96 79.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.0 -49.57 69.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.82 -41.07 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.98 -50.8 27.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.71 -16.93 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.601 0.239 . . . . 0.0 111.512 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.407 ' HB3' ' HE2' ' A' ' 40' ' ' MET . 0.0 OUTLIER -58.39 -59.17 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.666 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -50.4 12.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -73.1 86.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 61.15 113.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -73.89 -25.66 60.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.38 -43.19 71.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.85 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.91 -49.85 74.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.764 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -62.43 -45.65 92.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -59.79 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -58.18 -49.81 75.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -30.55 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -56.53 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.733 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -32.9 65.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.289 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -45.54 92.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.675 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.76 -34.66 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.96 -47.33 78.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 58' ' ' VAL . 12.7 t -70.29 -33.87 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.161 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -72.27 -34.62 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.723 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 58' ' ' VAL . 1.5 mttt -71.7 -34.42 69.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.038 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.61 -42.81 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.41 HG22 HD23 ' A' ' 62' ' ' LEU . 12.1 t -68.87 -36.77 78.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD23 HG22 ' A' ' 61' ' ' THR . 0.9 OUTLIER -64.43 -52.21 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -58.84 -47.24 85.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.689 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.93 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.4 ttm -67.05 -48.92 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.62 -39.03 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -45.93 89.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -32.19 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.636 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -45.57 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.778 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.82 59.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -49.0 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.44 -43.73 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.5 t -58.9 -51.51 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.7 -56.27 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -70.94 -30.63 66.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 29.8 mm -74.17 -48.42 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.25 -42.39 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.041 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.78 -47.73 73.24 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -35.14 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 4.4 tt -67.63 -52.19 41.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.758 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.01 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -60.21 -51.91 67.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -40.47 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.7 -35.83 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.29 99.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.14 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.66 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.46 -49.8 51.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.6 t -69.8 -35.32 74.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.383 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -67.73 -41.58 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.96 -51.16 70.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.2 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.987 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 tp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.048 0.451 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -112.54 -31.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -66.71 -32.7 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.41 -40.99 89.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.41 -44.56 92.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -69.03 -30.85 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.19 -51.68 26.58 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.414 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -68.0 -46.33 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.359 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -57.6 -51.32 70.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -54.66 -44.23 73.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.7 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.41 -36.51 84.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.5 mm -59.35 -50.78 78.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.17 -52.11 54.75 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.534 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.3 t -56.63 -27.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.052 0.454 . . . . 0.0 110.208 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -54.93 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.13 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.37 -30.89 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.0 -50.24 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -36.76 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.06 -49.51 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.81 -37.12 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.53 -41.87 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -81.18 -30.42 34.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.41 -40.36 89.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -51.95 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.5 -44.42 97.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.61 -19.74 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.396 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -56.31 17.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.179 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.27 -52.71 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.3 m -90.63 117.52 29.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.414 ' CE1' ' HB2' ' A' ' 45' ' ' GLU . 0.6 OUTLIER 57.32 101.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -92.39 47.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 12.0 mm-40 -130.66 -44.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -32.92 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.31 -39.7 85.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -64.45 -45.39 87.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -49.75 75.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.9 t -58.81 -37.97 77.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.748 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.06 -42.79 96.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -58.43 -45.93 87.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.33 -29.37 73.12 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.29 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.12 -32.46 50.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.935 0.398 . . . . 0.0 110.723 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.8 -34.93 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -73.26 -47.45 42.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -60.03 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.634 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' A' ' 61' ' ' THR . 9.2 p -60.83 -39.84 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.642 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.067 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.51 -43.19 77.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.609 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' ' 58' ' ' VAL . 5.3 t -71.17 -34.34 70.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.16 -49.63 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.64 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -43.97 97.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.74 94.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 ttp -60.28 -44.55 95.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.669 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.0 mt -71.01 -29.89 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -56.24 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.68 -48.89 65.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.878 0.37 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.04 -43.32 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -59.45 -48.99 79.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -63.23 -45.72 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 t -60.53 -45.18 94.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.25 95.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.54 -24.74 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -70.66 -46.56 63.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.019 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -37.25 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.89 -53.32 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.539 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.13 99.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.002 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -36.82 83.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 0.0 110.507 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.432 HD22 ' CG2' ' A' ' 58' ' ' VAL . 5.2 tt -66.01 -56.83 9.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -67.85 -42.22 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.453 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -66.07 -46.75 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.65 -41.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.61 -40.81 97.85 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.312 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.28 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.43 -47.11 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.01 -47.64 85.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -61.71 -35.16 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.668 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -44.34 92.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.7 tt -60.57 -45.37 94.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.04 77.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.06 -51.1 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.723 179.902 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.809 0.337 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -60.26 -33.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -81.3 -36.11 30.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.676 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.14 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.96 -49.35 78.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.746 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -30.52 47.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.86 30.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.35 -42.0 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.398 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -60.04 -51.33 70.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.11 -38.25 79.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -59.17 -40.64 86.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.609 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -40.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.419 HG23 HD12 ' A' ' 25' ' ' ILE . 39.8 mm -61.4 -36.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -52.5 10.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.51 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -56.93 -27.19 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -50.9 25.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.022 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.17 -36.45 77.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -50.24 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.785 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.02 -29.42 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 tp -73.82 -45.89 48.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.19 -44.49 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.1 -41.86 97.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -37.4 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.9 tp -67.15 -37.46 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -55.92 27.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.5 -47.73 84.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.43 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 111.068 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -80.47 -30.99 37.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -70.56 -72.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -117.84 -144.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.359 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -161.07 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.294 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.64 -29.71 63.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -50.59 73.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.306 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.42 -33.31 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.82 -50.34 73.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.399 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -66.4 -48.94 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.46 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -56.47 -40.61 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.784 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.7 -43.63 98.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.374 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -37.75 72.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 109.966 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.73 -43.7 95.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.174 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -63.78 -29.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.328 . . . . 0.0 110.687 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.46 -37.64 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.8 -47.54 45.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.403 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 9.6 t -61.04 -46.9 88.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 61' ' ' THR . 9.9 p -63.72 -38.29 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.788 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -36.94 79.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 110.325 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.81 -43.34 75.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.83 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 58' ' ' VAL . 2.4 t -69.94 -28.04 65.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' HG22 ' A' ' 61' ' ' THR . 2.9 mm? -70.39 -43.31 70.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -70.97 -31.37 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -55.97 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptm -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.35 -34.34 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.25 -43.63 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.756 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.6 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.74 -59.86 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.54 -42.58 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -79.22 -44.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.444 HG22 HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -61.96 -40.06 85.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.5 p -64.37 -44.08 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.41 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.29 -31.19 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -65.66 -46.6 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -67.56 -36.92 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.425 ' N ' HG22 ' A' ' 116' ' ' ILE . 57.9 t -57.94 -53.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.52 99.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.873 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.25 -31.91 71.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.008 0.432 . . . . 0.0 110.391 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.89 -55.54 12.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.539 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -37.82 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.614 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -41.37 98.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.385 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -49.66 74.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.1 t -59.48 -38.93 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.45 96.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.103 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.02 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.736 0.303 . . . . 0.0 110.711 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.44 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.6 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -63.77 -36.33 83.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.473 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.98 -45.29 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.502 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.61 -44.91 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.02 92.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.78 98.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.647 179.759 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.81 0.338 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.76 -34.4 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -32.52 74.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.812 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.52 72.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.16 -41.39 88.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -68.97 -30.36 46.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.58 22.86 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.01 -42.66 98.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -63.69 -47.13 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.59 -32.64 69.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.01 -46.25 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.41 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.74 -45.75 97.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -52.13 42.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.509 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.5 m -56.53 -27.3 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.229 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -69.73 -49.46 52.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.16 -39.09 85.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.789 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.1 -48.96 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.96 -32.78 73.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.26 -52.79 60.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.99 -42.46 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -39.86 95.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.785 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.82 -33.31 60.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tp -65.46 -37.61 87.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.71 -51.03 71.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.0 -44.13 69.15 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.409 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.24 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.049 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -52.41 62.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.43 -30.54 37.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 m -61.04 -76.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -137.07 -94.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.05 -34.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.698 0.285 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.78 61.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.99 70.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.276 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.97 -33.41 68.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -44.71 96.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -47.17 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -59.96 -40.57 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.77 -42.98 94.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -59.46 -51.2 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.52 -29.46 74.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -37.65 78.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.94 -34.9 64.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -74.15 -47.59 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.75 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -61.43 -46.74 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.464 ' CG2' HD21 ' A' ' 120' ' ' LEU . 9.9 p -64.34 -41.16 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.563 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -57.95 -34.0 69.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.105 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.34 -47.21 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.878 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 58' ' ' VAL . 4.2 t -66.34 -37.52 85.53 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.922 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.81 -45.97 90.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.63 98.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.26 97.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.195 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ttp -60.7 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.9 mm -61.98 -29.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.91 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.69 -30.42 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.021 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.2 -49.75 33.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.9 -27.78 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.276 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -71.9 -49.17 40.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.7 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.239 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.0 m -64.06 -36.56 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.9 -51.59 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.321 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.16 -37.92 81.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.78 -46.51 75.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.238 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -37.71 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.065 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.4 t -60.57 -56.96 14.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.63 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.9 92.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.108 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.98 -33.31 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.613 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.464 HD21 ' CG2' ' A' ' 58' ' ' VAL . 5.6 tt -70.94 -57.05 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.73 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -35.29 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -53.31 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.46 -32.34 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.64 -47.32 78.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.222 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.71 71.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.349 . . . . 0.0 110.829 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.92 -49.68 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.813 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.79 -41.81 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.2 p -61.51 -38.65 88.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.69 -41.44 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.43 81.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.54 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.19 97.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.751 0.31 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.26 -31.52 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -111.37 -67.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.82 98.16 2.43 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.417 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.21 -15.58 46.48 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.521 2.148 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -111.81 171.37 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -131.15 -57.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -120.33 -57.21 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -131.91 128.23 38.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -162.48 -53.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -39.32 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.6 tp -61.06 -45.66 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.79 -31.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.823 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.0 -27.87 43.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.476 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.26 -35.62 27.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -33.4 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.797 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -76.32 -32.05 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -52.07 37.19 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.553 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -44.25 72.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.342 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' O ' HG12 ' A' ' 25' ' ' ILE . 61.0 mttm -59.44 -51.04 71.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.52 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.72 -49.1 68.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -39.12 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.118 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.05 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.869 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 21' ' ' LYS . 15.0 mm -58.67 -51.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.54 -52.05 51.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.88 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.9 m -56.29 -27.04 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.889 0.376 . . . . 0.0 110.503 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HE2' ' CG2' ' A' ' 57' ' ' THR . 0.1 OUTLIER -70.05 -55.06 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.72 -29.38 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -50.28 47.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -68.22 -37.14 80.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -51.8 53.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -57.37 -51.29 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -36.48 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -28.29 46.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.91 -54.24 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -50.93 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.68 84.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.598 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.85 -19.96 59.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.691 0.282 . . . . 0.0 111.449 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -58.69 6.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.38 -1.63 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.466 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -85.07 -76.22 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.298 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -132.71 3.86 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.617 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' HA ' ' CD2' ' A' ' 47' ' ' LEU . 5.8 p-10 43.62 29.9 0.31 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.488 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 -35.77 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.27 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -72.8 -31.64 64.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.804 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.93 -48.33 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -66.24 -41.88 89.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -41.57 97.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.715 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.2 -43.42 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.07 -51.64 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.25 -29.34 72.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.42 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -33.35 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.721 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.409 ' O ' HG12 ' A' ' 58' ' ' VAL . 2.3 mm? -75.09 -34.83 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.02 -47.63 50.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 0.0 110.809 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.406 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 6.5 t -62.51 -48.1 81.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.474 ' CG2' HD23 ' A' ' 120' ' ' LEU . 6.1 p -59.01 -42.44 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -39.58 79.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -60.52 -45.55 93.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.557 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.471 HG23 ' HA ' ' A' ' 58' ' ' VAL . 11.9 t -71.07 -31.86 68.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.92 -33.92 71.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.636 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -71.26 -47.92 54.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 ttp -69.75 -51.47 33.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -61.66 -35.16 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.63 -42.95 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.47 -29.69 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.92 -29.89 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.84 96.36 24.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -51.21 138.86 44.89 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.5 2.133 . . . . 0.0 112.328 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.84 32.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.63 127.82 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.63 165.97 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.28 -68.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.33 144.47 15.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.68 166.56 20.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.93 30.94 20.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 t -127.96 83.06 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -164.67 92.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 t -128.88 -49.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -125.64 133.02 24.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.17 121.31 6.43 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.496 2.131 . . . . 0.0 112.305 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 t -122.74 135.48 54.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.54 139.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.23 -53.94 36.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.545 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.11 112.53 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.744 0.307 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -44.92 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -157.25 63.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.46 -34.73 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.2 -31.29 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.58 167.55 21.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -30.51 69.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.0 m -94.86 102.67 9.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.33 102.15 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.42 2.08 . . . . 0.0 112.302 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.2 125.02 50.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.7 -147.32 16.36 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 m -147.83 145.35 28.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.75 152.88 5.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 60.11 31.21 20.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.96 158.7 9.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.424 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.1 p -86.82 -41.21 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.43 107.39 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.46 -45.0 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.4 2.067 . . . . 0.0 112.345 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -178.51 -177.7 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 t -57.06 147.65 54.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.28 81.44 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.533 2.155 . . . . 0.0 112.254 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.85 -53.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.61 -31.61 28.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.09 -49.1 79.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.55 -43.83 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.9 t -58.92 -47.4 85.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.44 -54.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -23.13 67.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.713 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.38 -46.76 69.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 117' ' ' VAL . 2.1 tp -69.47 -36.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.454 ' N ' HG23 ' A' ' 116' ' ' ILE . 53.9 t -58.61 -50.94 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.617 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.03 92.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.011 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.18 -32.67 73.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.474 HD23 ' CG2' ' A' ' 58' ' ' VAL . 5.7 tt -69.93 -56.89 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.446 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -31.2 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -44.75 74.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.572 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -39.19 93.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.775 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 46.0 t -64.42 -43.09 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.2 92.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.339 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.87 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.973 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.13 -41.97 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -43.63 98.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -41.55 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.765 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.3 tt -66.45 -45.98 77.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.72 81.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.81 -43.78 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.042 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -43.46 93.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.3 -46.3 90.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.758 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.79 -35.52 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -39.67 84.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -81.11 -30.82 34.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -74.88 -30.76 61.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.33 22.72 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -112.65 -34.22 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.804 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.63 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 98.9 p -75.29 -50.95 14.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? 68.09 -69.72 0.14 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -105.07 103.51 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.72 -30.08 68.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.406 ' CE1' ' HD3' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -155.56 115.62 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.92 148.11 16.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.2 -32.97 95.07 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.553 2.168 . . . . 0.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.6 t90 -108.31 115.17 29.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HD3' ' CE1' ' A' ' 4' ' ' PHE . 8.5 ptmt 179.52 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.023 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -131.16 20.18 4.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.264 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.42 99.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.809 0.338 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.1 t -123.72 -46.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -34.48 23.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.95 -45.11 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.41 -41.57 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -30.8 71.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.49 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -58.89 -48.43 81.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.3 -33.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.48 -51.62 52.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -38.45 90.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -37.43 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.755 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.0 t -65.29 -35.54 81.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -48.47 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.77 -47.17 63.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.397 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -58.43 -41.08 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.379 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.94 -52.17 34.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.633 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.72 -27.1 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.453 . . . . 0.0 110.274 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HE2' ' CG2' ' A' ' 57' ' ' THR . 30.2 tttp -72.89 -54.91 7.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.051 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -38.9 79.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.07 -45.72 84.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -40.2 96.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.61 -38.9 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.04 -45.42 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -38.65 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.49 -31.33 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 tp -66.88 -50.29 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -49.68 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.46 -42.87 97.37 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.73 -24.6 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.742 0.306 . . . . 0.0 111.223 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -54.24 43.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.064 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.48 -33.45 36.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -70.75 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -150.18 117.55 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.779 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 47' ' ' LEU . 10.8 p-10 -84.47 52.96 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.62 -45.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.35 79.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -63.96 -41.67 97.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -60.3 -50.25 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.62 -42.77 86.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -60.84 -43.92 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.1 -37.44 87.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.724 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -55.01 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.688 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.77 -33.24 85.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.235 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 57' ' ' THR . 0.7 OUTLIER -68.28 -59.83 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HA ' HG21 ' A' ' 58' ' ' VAL . 2.2 mm? -53.83 -36.95 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 111.158 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.474 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 4.2 t -66.83 -30.8 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -73.26 -34.82 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.472 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.46 -46.16 77.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.313 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.29 -48.08 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.171 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 58' ' ' VAL . 4.0 t -59.17 -42.61 91.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.82 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.21 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.362 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.98 -39.5 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.96 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.0 ttp -60.19 -49.32 78.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.7 mm -64.36 -42.1 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -41.52 93.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -37.62 64.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -51.23 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.677 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.99 91.43 2.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.795 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.41 122.94 10.49 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.45 2.1 . . . . 0.0 112.376 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.3 p -138.02 30.2 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt 59.65 175.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.89 -56.09 1.47 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.17 68.29 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.3 36.92 0.3 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.78 172.17 13.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.89 31.08 20.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.8 m -71.43 -50.73 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.18 139.29 58.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.2 m -88.03 -51.88 5.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -165.77 83.14 1.05 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 117.87 5.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.528 2.152 . . . . 0.0 112.27 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.1 t -126.49 92.96 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -155.99 -179.02 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.61 33.92 5.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.32 138.88 37.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.06 -175.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -96.08 40.29 1.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 p -87.36 -31.28 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -33.53 75.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.04 -66.16 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.2 158.64 22.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t 64.19 134.91 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.56 149.78 30.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.429 2.086 . . . . 0.0 112.286 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -96.18 159.23 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.13 172.95 37.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.56 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 t 60.87 107.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.3 39.18 2.85 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.74 148.22 48.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.63 -82.76 0.29 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.09 104.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 113.78 26.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.786 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.36 -43.77 54.58 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.361 2.041 . . . . 0.0 112.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 pp -156.25 171.02 20.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.54 164.77 4.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.59 63.35 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.631 2.22 . . . . 0.0 112.284 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.3 t -127.96 -48.95 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.59 -36.7 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.07 -47.6 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.497 HG23 HD12 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -59.89 -43.38 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 m -65.23 -35.74 81.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.698 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.56 -57.28 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.19 -28.57 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -69.3 -46.54 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -71.07 -36.92 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.404 ' N ' HG22 ' A' ' 116' ' ' ILE . 46.8 t -58.1 -54.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.715 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.92 -41.66 99.67 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.072 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.554 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.1 tp -68.32 -52.13 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -32.59 70.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.742 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.33 -42.43 75.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.769 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.33 -54.68 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.39 -37.12 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.06 -35.95 92.64 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.155 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.793 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -49.72 71.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -63.26 -40.6 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.0 t -60.25 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.406 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -33.94 75.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.76 -44.4 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.7 88.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 67.4 m -66.98 -31.53 72.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.727 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -59.71 -54.84 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.726 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -65.53 -33.11 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -45.0 94.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -77.07 -38.78 51.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -62.75 -42.95 99.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.35 -31.16 62.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -66.97 -34.8 78.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.49 -30.47 61.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 p -79.39 -40.14 30.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.29 -76.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.777 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.903 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.53 91.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.75 -36.48 76.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -78.82 -28.76 44.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.86 134.56 4.01 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -77.55 57.06 5.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.53 2.154 . . . . 0.0 112.516 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.3 m95 53.92 -176.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.63 20.55 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -178.53 -71.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.772 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.08 52.1 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 m -131.33 -66.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -24.33 61.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.99 -15.56 17.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.429 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.1 p -48.29 -27.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.405 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.75 -32.49 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -39.58 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.07 -44.55 94.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.785 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 t -64.06 -34.36 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.17 -51.66 42.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.389 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.59 -39.81 94.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -66.25 -40.96 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -62.81 -37.68 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.83 -44.33 85.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.716 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.75 73.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.72 -44.53 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.27 -52.27 42.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.8 m -56.91 -27.28 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.091 0.472 . . . . 0.0 110.125 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -46.52 66.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.748 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.34 -36.66 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.41 -50.0 71.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.47 -29.91 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.48 -52.25 23.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.04 -44.17 94.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.33 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -82.2 -29.79 31.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.52 -54.2 26.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.37 -39.14 82.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.12 -52.37 18.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.15 -21.55 66.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.418 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.75 7.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.281 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -80.56 -30.32 37.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -76.52 -75.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -129.56 104.98 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.402 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -66.04 -14.03 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.12 -29.7 19.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.782 0.325 . . . . 0.0 111.034 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.36 -31.29 63.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD1' ' NH1' ' A' ' 135' ' ' ARG . 34.6 t80 -67.42 -50.27 60.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.776 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -38.74 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.423 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 12.5 t -63.92 -45.91 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.814 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.62 -41.2 98.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -34.36 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 110.019 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.57 -36.27 82.96 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.073 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -72.66 -29.74 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.02 -40.48 68.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.44 -47.4 60.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 t -62.96 -46.79 86.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.696 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.449 ' CG2' HD22 ' A' ' 120' ' ' LEU . 6.0 p -64.91 -37.58 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -34.94 76.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.153 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -69.2 -45.24 70.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.48 HG23 ' N ' ' A' ' 62' ' ' LEU . 1.3 t -64.61 -33.96 77.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.837 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.48 ' N ' HG23 ' A' ' 61' ' ' THR . 8.4 mt -76.02 -32.41 59.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.03 -36.39 82.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.378 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.55 61.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 ttp -62.04 -50.36 72.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tp -59.82 -44.71 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -34.53 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' CD2' ' CB ' ' A' ' 113' ' ' ALA . 11.4 mt -74.38 -34.03 63.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -85.97 162.6 46.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.785 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.4 170.91 12.55 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.591 2.194 . . . . 0.0 112.269 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.63 -47.46 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.794 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.62 103.09 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.01 119.07 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.21 138.39 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.47 29.83 6.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -142.75 -175.05 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.31 42.33 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.4 t -97.2 39.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.77 -31.99 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.11 -35.51 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 60.57 89.61 0.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -51.28 160.26 2.37 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.583 2.188 . . . . 0.0 112.25 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 m -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.46 143.43 49.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.61 -49.45 78.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.36 119.3 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 89' ' ' GLU . 4.1 pt20 -141.3 165.74 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 4.3 tt0 81.08 -51.19 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 t -100.33 -33.63 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -46.9 40.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.45 -175.18 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.049 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.1 mp -96.09 -38.38 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.7 t -106.06 121.4 45.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.15 165.77 30.32 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.423 2.082 . . . . 0.0 112.29 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -78.76 170.73 16.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.27 34.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.87 171.9 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 172.04 124.0 0.74 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.407 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.19 154.53 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.56 -106.0 3.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.9 m 61.24 102.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.409 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -60.93 111.0 3.46 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -51.79 -28.55 30.87 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.473 2.115 . . . . 0.0 112.287 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -167.02 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.4 p -82.27 165.52 42.16 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.42 82.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.767 2.311 . . . . 0.0 112.231 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -157.36 -44.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.97 -28.88 32.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.44 -48.38 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 pp -55.35 -40.61 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.5 t -63.81 -34.68 78.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 0.0 110.755 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -72.76 -52.75 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.406 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -40.18 81.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.219 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -63.32 -46.5 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.427 HG21 ' O ' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -65.25 -36.71 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.124 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.8 t -58.95 -52.06 65.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.726 0.298 . . . . 0.0 110.534 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.88 -46.25 92.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.852 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -36.01 82.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 110.309 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' A' ' 58' ' ' VAL . 6.7 tt -61.71 -56.98 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -32.48 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -38.9 91.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.724 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -54.88 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.13 -39.35 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.593 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.38 96.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.79 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.77 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -41.71 88.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.42 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.85 -48.85 67.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.598 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -44.4 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.734 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -38.07 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.12 -40.62 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.46 86.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.46 94.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.93 -39.06 87.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.448 ' NH1' ' CD1' ' A' ' 48' ' ' PHE . 6.0 mtp180 -60.53 -52.18 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.662 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -65.62 -36.62 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.84 -41.84 92.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -78.67 -30.75 46.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.02 -32.7 61.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.31 -36.58 61.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -60.03 -31.56 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.3 79.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.1 m -99.95 34.27 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.41 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.53 77.67 1.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 1.8 tp10 -87.29 -26.61 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 17.3 p90 43.68 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.427 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.69 169.18 16.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.552 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.34 62.63 2.75 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.603 2.202 . . . . 0.0 112.26 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -157.22 87.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.64 19.39 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.44 -31.29 5.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t0 64.49 96.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -150.25 -50.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -90.81 -41.35 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tp -61.41 -29.56 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 p -56.85 -32.77 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -61.23 -31.76 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.61 -48.19 56.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.78 -48.67 79.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 t -67.63 -30.24 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -51.68 30.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.716 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -69.6 -46.7 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.41 -37.79 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -41.59 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.54 74.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 25' ' ' ILE . 1.4 mp -60.55 -46.56 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.11 -52.03 47.99 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.597 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -56.67 -27.19 25.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 0.0 110.218 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -54.09 19.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.015 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.87 -31.15 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.67 -50.33 18.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -30.38 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.6 -52.99 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -61.27 -42.78 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.99 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.69 -35.03 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -81.57 -28.34 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -68.94 -39.59 79.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -52.21 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.02 -44.7 60.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.513 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.3 -26.46 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.209 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -56.55 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.44 -30.94 37.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -68.36 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -156.79 119.16 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.61 -23.46 67.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -31.56 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -51.16 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.21 -31.94 68.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.23 -49.01 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -65.36 -47.36 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -45.47 91.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.711 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -33.76 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -58.79 -50.24 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.74 -29.13 61.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.185 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.35 79.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.963 0.411 . . . . 0.0 110.662 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.16 -36.02 48.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.631 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -66.79 -44.31 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.72 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 t -68.13 -45.46 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.796 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 61' ' ' THR . 0.3 OUTLIER -62.25 -34.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.769 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -66.67 -45.46 78.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.434 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.44 -49.28 56.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.235 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 58' ' ' VAL . 5.2 t -56.59 -45.15 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.107 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' CD1' ' CG2' ' A' ' 117' ' ' VAL . 4.1 mm? -67.94 -34.41 76.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.78 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -41.2 99.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.551 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.8 -39.08 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.852 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 ttp -64.54 -51.4 63.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.766 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tt -59.27 -36.03 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -38.14 80.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.583 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -76.62 -26.64 55.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.987 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.34 -25.01 36.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.342 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.478 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -53.33 -55.2 36.86 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.259 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 70' ' ' GLN . 22.7 Cg_exo -64.32 73.27 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.537 2.158 . . . . 0.0 112.162 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 61.5 p -146.17 39.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.6 125.58 54.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 142.43 53.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.81 82.09 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.94 86.32 1.39 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.552 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -163.05 135.82 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.75 -45.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.2 p -58.83 -63.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.44 111.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.0 t -130.12 -51.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -146.08 99.14 4.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.73 144.84 61.12 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.491 2.127 . . . . 0.0 112.252 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.1 m -112.29 -41.58 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.18 175.1 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.0 104.68 2.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.74 -39.43 44.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.77 36.83 19.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -112.35 -76.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -167.42 -51.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 pm0 -60.94 -30.95 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.81 -77.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.78 154.23 50.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.76 144.53 93.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.99 160.79 5.59 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.561 2.174 . . . . 0.0 112.288 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? 59.08 170.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.66 124.96 8.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.55 -175.5 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -130.55 83.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -156.45 171.33 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.53 128.26 3.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -175.45 101.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m 60.86 111.19 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.58 -58.48 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.331 2.021 . . . . 0.0 112.311 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -158.91 172.39 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.9 165.07 8.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.73 91.07 1.01 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.616 2.21 . . . . 0.0 112.349 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t -159.63 -45.04 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.2 -35.85 63.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -67.71 -49.17 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -66.62 -44.71 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.8 t -62.93 -32.67 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' O ' HG13 ' A' ' 116' ' ' ILE . . . -71.2 -39.24 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -30.58 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -71.33 -46.91 59.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.44 HD13 ' CG2' ' A' ' 117' ' ' VAL . 2.5 pp -63.85 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.44 ' CG2' HD13 ' A' ' 116' ' ' ILE . 25.1 t -57.89 -55.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.861 0.363 . . . . 0.0 110.217 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.16 -27.3 59.93 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.642 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -74.82 -46.25 37.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.58 0.228 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.402 HD12 ' CG2' ' A' ' 58' ' ' VAL . 2.7 pp -73.5 -47.75 38.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 111.031 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -45.34 91.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.1 ttm-85 -61.09 -46.79 89.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.93 -37.35 76.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.518 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.8 t -68.74 -37.68 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.78 -49.56 77.25 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.231 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.22 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.22 -42.78 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.772 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -39.41 93.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -47.18 87.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.61 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.741 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.94 -45.53 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.686 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.7 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.5 64.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.12 -46.79 55.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.775 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -68.2 -32.21 72.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -67.13 -47.27 71.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.74 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -63.01 -40.32 97.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.97 73.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -32.03 64.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -50.44 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.83 -34.63 77.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.94 73.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -46.51 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.79 111.54 23.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 4' ' ' PHE . 25.3 m -163.94 -61.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 68.12 20.08 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 5' ' ' GLY . 11.8 p90 -134.23 -40.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.045 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . 75.81 -117.56 5.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.564 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.72 72.07 2.55 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.421 2.081 . . . . 0.0 112.293 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -85.18 123.45 30.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.788 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -76.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -150.12 -67.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -176.52 37.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.777 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.5 20.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.64 -31.58 6.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 tp -60.74 -45.01 98.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -63.12 -26.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -81.62 -32.14 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.82 86.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.81 -40.22 91.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.14 -34.55 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.71 -51.66 52.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.206 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.25 -45.45 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.367 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -59.38 -51.18 71.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.613 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.78 -45.03 70.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -45.1 77.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.81 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.24 -51.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.19 53.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.96 -27.06 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.094 0.473 . . . . 0.0 110.088 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -55.07 10.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.49 -32.94 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -50.26 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -67.98 -38.63 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.84 -39.66 93.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -33.32 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -31.33 26.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tp -69.68 -39.36 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.4 mt -72.4 -51.08 21.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.71 -49.59 75.98 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.614 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -28.9 69.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.371 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -59.26 4.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -30.21 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 m -73.7 -63.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.417 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -162.22 126.09 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.68 51.4 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.139 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.98 -45.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.25 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' A' ' 48' ' ' PHE . 3.4 pp -58.87 -41.52 87.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' A' ' 47' ' ' LEU . 10.0 m-85 -65.83 -37.44 86.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -44.58 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.9 m -62.42 -44.12 97.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -38.26 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.654 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -55.54 33.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.08 -28.96 73.94 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.193 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -33.89 61.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.675 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -76.38 -34.94 58.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -73.88 -47.32 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.504 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.2 t -61.13 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.17 -34.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.399 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.62 77.39 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.48 -32.8 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.0 m -60.9 -45.3 95.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.476 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.46 -48.55 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.445 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -41.15 91.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.608 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -38.44 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt -71.84 -37.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.94 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -53.54 42.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -30.62 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.3 -60.06 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.25 146.08 97.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.89 149.1 27.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.526 2.151 . . . . 0.0 112.367 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.96 -31.13 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -114.32 89.08 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.56 -35.72 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 61.22 112.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.0 -118.5 5.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 60.65 97.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.71 -43.61 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -148.97 114.69 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.84 178.54 6.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 p -124.69 156.41 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -99.84 149.27 35.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.41 154.23 11.91 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.509 2.139 . . . . 0.0 112.351 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 p -151.69 126.1 9.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.12 -51.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.04 -78.0 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.538 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.29 147.31 30.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.069 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -165.93 89.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -165.68 -64.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 t -103.16 -34.56 8.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.93 -46.32 45.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.773 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.45 132.24 51.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.443 ' O ' HG13 ' A' ' 94' ' ' VAL . 3.4 mm? -76.06 156.38 33.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.793 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 93' ' ' LEU . 7.1 p 31.72 83.83 0.19 Allowed Pre-proline 0 N--CA 1.467 0.422 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.129 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.97 115.05 3.6 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.514 2.143 . . . . 0.0 112.23 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 95.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.89 62.21 4.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -90.35 176.06 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.98 135.08 2.27 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -103.77 -63.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.95 -69.95 2.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.8 t -161.77 99.81 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.09 132.85 11.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.72 -39.41 83.64 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.504 2.136 . . . . 0.0 112.304 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.66 -176.86 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.6 p -70.46 163.99 58.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.054 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.31 80.15 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.832 2.355 . . . . 0.0 112.206 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.1 m -151.38 -49.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.717 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.46 -41.24 18.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -74.78 -39.06 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -55.76 -45.59 79.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -32.83 74.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' O ' HG22 ' A' ' 116' ' ' ILE . . . -65.05 -46.43 81.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.804 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.54 -28.89 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -66.24 -46.66 76.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.444 HG21 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -68.69 -36.78 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.984 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.6 t -58.1 -49.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.611 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.29 90.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.975 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -35.34 78.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.486 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.35 -56.78 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.678 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -33.23 64.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.21 -46.2 74.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.34 -43.98 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 30.6 t -62.56 -39.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.77 95.17 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.319 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.83 -38.43 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -49.66 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -31.37 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.628 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.4 p -70.67 -39.34 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.559 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -33.45 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.99 -49.0 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.03 90.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.47 82.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.93 -38.85 87.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.779 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -62.89 -45.08 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -37.25 83.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.53 -40.29 96.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.84 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -67.24 -55.58 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.6 -30.08 69.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -61.8 -48.39 80.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.27 -24.72 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.344 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 26.5 m -66.25 -14.14 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.432 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -51.07 -30.19 15.14 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 111.238 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.14 94.32 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.1 -40.47 86.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -100.25 -67.22 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.71 -86.01 0.41 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.16 -61.67 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.566 2.177 . . . . 0.0 112.351 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -132.22 84.23 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -52.78 15.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -165.02 -59.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.3 31.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 36.3 t -121.6 144.92 48.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.413 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.1 OUTLIER 81.8 -22.76 0.24 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.645 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.459 HG21 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -91.33 -36.03 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.49 -44.99 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -31.67 72.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.15 -37.24 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.15 -45.71 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.28 -41.13 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.68 -51.79 53.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -43.47 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.599 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 25' ' ' ILE . 50.4 mttm -58.48 -49.9 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.636 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.88 -49.03 69.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.95 -40.22 66.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.98 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.763 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 21' ' ' LYS . 33.5 mm -58.17 -51.4 71.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.75 -52.39 53.43 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.547 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.7 t -57.72 -27.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.117 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -72.41 -55.02 7.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.104 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.95 -27.41 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -50.15 41.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.27 -38.75 85.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.659 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.83 -37.67 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -47.34 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -81.0 -39.81 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.28 -47.44 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -50.82 72.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.401 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -67.65 -40.53 90.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.538 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.65 -16.84 61.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.483 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -58.74 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.338 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 42' ' ' SER . 49.6 p90 -79.99 -48.96 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.392 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 5.2 p -96.71 128.26 43.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 95.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 -13.59 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -85.46 -33.43 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.6 pp -62.88 -35.88 81.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.78 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -58.98 -50.33 74.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.55 -44.82 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -56.05 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -40.38 96.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.44 -37.86 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.56 -38.19 68.48 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.155 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -69.82 -29.82 67.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 58' ' ' VAL . 5.2 mt -77.1 -34.94 56.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.308 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -70.5 -47.61 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.099 0.476 . . . . 0.0 110.507 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -63.05 -46.52 87.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.99 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.467 ' CG2' HD21 ' A' ' 120' ' ' LEU . 6.1 p -61.13 -44.41 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.678 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' HG11 ' A' ' 58' ' ' VAL . 13.3 ttmt -58.14 -34.76 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -65.07 -44.42 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.457 HG21 ' N ' ' A' ' 62' ' ' LEU . 6.0 t -70.8 -30.21 66.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.457 ' N ' HG21 ' A' ' 61' ' ' THR . 1.1 mm? -70.22 -46.33 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.302 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -64.07 -36.21 83.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.529 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.19 92.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 ttp -58.73 -54.99 40.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 tt -58.19 -32.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -43.46 95.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.43 -33.85 58.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -61.29 -38.43 86.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -100.92 138.96 20.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.34 -20.94 27.31 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.549 2.166 . . . . 0.0 112.475 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.42 85.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.12 131.81 38.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -177.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.29 155.02 43.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.58 121.49 4.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 59.92 93.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.938 0.399 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.21 105.74 14.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 m -106.58 -65.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.772 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.1 87.07 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -109.35 -26.24 10.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.435 ' CB ' ' CD ' ' A' ' 83' ' ' PRO . 16.2 m-85 -165.89 -64.3 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 82' ' ' TYR . 22.5 Cg_endo -61.6 125.49 16.87 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.387 2.058 . . . . 0.0 112.331 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.1 p -114.55 -45.08 3.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.86 107.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.85 104.35 2.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 72.93 -60.1 0.55 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.688 0.28 . . . . 0.0 111.374 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 63.37 38.42 10.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.67 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.63 79.03 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.0 m -85.41 -37.17 20.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.35 -32.93 74.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.12 158.51 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.8 91.3 8.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.6 m -110.6 153.06 43.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.54 161.19 46.92 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.618 2.212 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.22 -38.82 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -130.64 141.12 12.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m 60.13 94.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.733 0.301 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.26 -172.09 24.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -128.09 176.31 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -90.59 -76.12 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -173.5 108.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.4 m -59.29 110.69 2.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.49 -32.13 33.53 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.385 2.056 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 pp -171.7 176.92 3.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.6 p -59.16 155.74 32.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.55 69.94 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.459 2.106 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 p -136.02 -47.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.33 -30.52 27.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.995 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -47.15 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 mp -64.66 -45.99 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.4 t -59.36 -51.36 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.75 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.4 -54.47 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -27.4 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.33 -30.78 66.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 25.2 mm -73.07 -48.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.71 -42.04 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -63.4 -58.13 12.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -39.02 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 58' ' ' VAL . 5.7 tt -60.91 -55.87 27.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -33.97 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -64.59 -40.09 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -53.42 55.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.592 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.14 -33.23 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.805 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.53 -53.47 45.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.355 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.73 85.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.64 -44.25 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.27 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -35.29 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -65.9 -41.15 91.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.724 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.1 tt -64.2 -49.22 72.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.718 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.66 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.59 -55.1 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.28 -35.99 80.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -48.22 70.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -66.99 -47.96 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.82 -45.51 93.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.64 92.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -69.75 -39.48 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.44 -37.5 74.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -30.12 69.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.0 -26.11 61.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.226 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.44 29.16 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.25 -47.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.828 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 82.2 mttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.91 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -137.87 136.95 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.943 0.402 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -97.96 36.97 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -177.04 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' N ' ' HD3' ' A' ' 6' ' ' PRO . . . 58.48 61.51 7.32 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.65 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 5' ' ' GLY . 22.6 Cg_exo -64.67 -54.95 0.61 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.135 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -161.25 127.69 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -159.24 87.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.61 -46.05 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -120.61 30.29 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 4.0 m -103.61 110.98 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 11' ' ' SER . 40.4 m170 74.92 -47.26 0.62 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.621 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp -60.3 -29.86 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -61.02 -39.67 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -73.3 -33.27 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.53 74.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.36 -41.08 92.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.8 -30.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.75 -51.68 39.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.73 -34.21 77.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -68.24 -30.09 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.766 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 t -76.14 -38.44 56.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -70.15 -47.35 62.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.01 74.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.6 tp -58.26 -39.34 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -52.56 46.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.019 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.74 -27.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 109.883 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HE2' ' CB ' ' A' ' 57' ' ' THR . 39.5 tttp -70.74 -54.85 10.17 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -30.77 71.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.026 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -46.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -63.36 -43.69 96.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -44.9 95.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.53 -49.73 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.39 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.222 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tt -73.12 -42.76 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.154 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -52.16 -50.39 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.06 -52.84 16.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.677 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.55 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.635 0.255 . . . . 0.0 111.498 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.411 ' O ' ' CE ' ' A' ' 40' ' ' MET . 7.0 tpt -51.52 -59.66 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' HA2' ' A' ' 38' ' ' GLY . 29.3 p90 -80.69 -30.31 36.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.247 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -70.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.221 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.02 107.1 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -83.26 53.27 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 -43.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.604 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -33.9 72.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -34.85 66.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.36 -50.26 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.653 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.59 -43.22 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.1 p -63.18 -35.89 81.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -46.01 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.626 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -57.84 -53.75 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.61 -51.35 54.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -37.89 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.786 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.91 -45.71 88.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -33.03 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.424 ' CB ' ' HE2' ' A' ' 28' ' ' LYS . 87.3 m -65.64 -53.74 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.798 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.451 ' O ' HG22 ' A' ' 61' ' ' THR . 13.2 p -67.84 -34.78 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.979 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -69.84 -45.48 67.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.171 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.28 -42.67 75.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.654 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 58' ' ' VAL . 2.5 t -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' CD1' HG23 ' A' ' 117' ' ' VAL . 17.9 mt -68.77 -35.98 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -60.72 -41.09 94.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.55 79.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.7 ttp -61.58 -47.0 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 mt -61.53 -46.36 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.3 -34.58 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.692 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -75.83 -30.35 58.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.739 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.41 -33.06 64.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -105.66 94.68 9.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.03 89.7 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.402 2.068 . . . . 0.0 112.39 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 -46.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.04 126.78 42.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.05 99.27 3.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 59.74 88.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.31 -149.41 42.53 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.552 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -88.34 -69.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.31 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.24 83.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m 60.48 158.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.42 133.49 41.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.34 172.74 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.29 114.09 3.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -51.21 124.06 13.25 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.511 2.14 . . . . 0.0 112.357 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.8 m -139.33 110.94 7.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -166.96 126.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 160.24 104.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.17 159.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -91.18 -34.41 15.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 172.26 98.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.762 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 m -128.13 -44.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.985 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.82 -40.58 84.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.27 -78.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 pp -161.47 148.23 14.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.6 t -103.34 92.59 4.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.231 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.6 -45.46 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.463 2.109 . . . . 0.0 112.328 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.11 35.2 21.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -175.16 73.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.8 t -103.81 -38.26 7.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.71 -172.2 44.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.551 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -70.04 -62.62 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 62.15 149.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.2 98.7 4.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 107.59 19.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.63 -39.99 6.07 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.474 2.116 . . . . 0.0 112.37 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.78 146.44 48.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.07 167.09 18.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.694 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.7 64.59 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.536 2.157 . . . . 0.0 112.12 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.7 p -177.33 -36.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.73 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -49.05 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.55 -34.66 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -66.66 -39.03 88.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.976 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.67 -38.83 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.281 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.03 -33.95 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.577 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -74.63 -37.07 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.718 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.42 HG21 HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.37 -45.19 76.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.635 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.42 HG23 ' CD1' ' A' ' 62' ' ' LEU . 6.9 p -59.64 -47.88 89.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.88 0.371 . . . . 0.0 110.424 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.55 -35.59 91.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.864 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -69.02 -38.24 79.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 110.64 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.4 -56.23 24.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.72 -40.27 75.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -60.86 -46.72 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.177 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -62.0 -38.74 89.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 44.5 t -64.8 -41.4 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.602 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.52 95.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.107 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.91 -34.2 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.1 -47.41 65.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.03 -29.51 69.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 t -66.68 -49.16 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.83 -40.87 96.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.683 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.0 -39.46 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.623 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.63 81.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.22 -32.33 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.726 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.5 -48.86 59.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.715 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -63.1 -37.26 86.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -40.92 86.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.781 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.82 -44.75 61.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -63.83 -30.09 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.94 24.3 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -114.81 -36.92 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.775 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.44 -33.45 67.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.4 m -75.92 -31.99 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -70.68 -46.23 63.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.0 mttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.916 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -109.44 -29.72 8.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.67 31.21 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -165.45 -69.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.89 66.39 2.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.05 51.63 3.94 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.69 2.26 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -100.2 -26.49 13.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? 179.5 77.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -149.47 57.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -175.95 159.17 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.9 p -124.07 160.53 27.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 77.67 -42.23 0.37 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.682 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -30.28 46.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.828 0.346 . . . . 0.0 111.085 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 p -54.29 -28.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.4 t -73.84 -30.94 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.85 75.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -70.41 -31.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.18 -51.58 13.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -36.23 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.54 -41.9 87.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.2 t -60.98 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.94 -43.85 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.96 84.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 tp -59.39 -40.83 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.63 -52.08 27.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.34 -27.39 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.944 0.402 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -53.03 16.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.964 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.89 -31.36 70.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.993 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -49.58 69.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.624 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.76 -37.57 87.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.91 -44.21 77.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.92 -45.77 86.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -44.26 96.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -30.43 66.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -53.73 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -55.78 -53.79 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.085 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.55 -50.33 67.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.22 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -52.49 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.44 -28.64 37.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -79.87 -66.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -122.38 -143.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.562 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -158.45 -41.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.23 -20.64 51.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.04 64.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.384 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.3 -32.64 73.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.696 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -60.82 -50.94 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -37.79 76.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.28 -43.36 98.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.696 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.99 -52.76 64.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.024 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.45 -36.94 93.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.14 -35.96 71.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.079 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -44.96 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.974 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.34 -43.49 98.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 0.0 110.352 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.8 m -56.78 -56.59 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.592 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.457 ' CG2' HD23 ' A' ' 120' ' ' LEU . 12.2 p -58.99 -34.73 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.61 -47.17 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.91 -33.28 74.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.178 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.2 m -62.86 -52.4 63.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' CD2' ' CG2' ' A' ' 58' ' ' VAL . 3.4 mm? -59.63 -43.06 93.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.05 -40.22 97.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.97 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 ttp -59.63 -48.36 81.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.5 mt -66.98 -42.23 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.4 -36.97 85.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -50.52 56.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.63 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -88.34 131.47 42.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.94 121.74 7.56 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.456 2.104 . . . . 0.0 112.347 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.0 p -116.47 26.79 9.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.044 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.15 -37.33 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 60.59 168.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.82 160.87 8.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.37 73.2 1.21 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -90.0 -33.45 16.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.81 38.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 t -77.05 104.17 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.4 97.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.3 m -163.91 -44.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.422 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 0.2 OUTLIER -177.91 -61.67 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.948 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 82' ' ' TYR . 29.9 Cg_endo -63.08 134.48 46.19 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.436 2.091 . . . . 0.0 112.214 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.61 119.62 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.97 120.6 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.56 83.45 1.21 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.49 147.1 27.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.795 0.331 . . . . 0.0 111.071 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.69 43.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 60.63 31.36 20.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.7 p -87.32 -29.79 21.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -30.83 69.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.11 -71.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -165.49 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.402 ' CG2' ' HD2' ' A' ' 95' ' ' PRO . 9.9 p -56.84 137.88 78.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 94' ' ' VAL . 16.4 Cg_endo -57.49 160.93 12.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.473 2.115 . . . . 0.0 112.212 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 154.15 17.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.4 95.97 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -141.39 178.54 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.705 0.288 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -172.13 -116.38 0.4 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.17 136.63 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -158.08 31.28 0.49 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 m -101.78 90.96 4.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.402 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.9 p -162.94 113.27 1.06 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.734 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.67 -44.33 4.46 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.456 2.104 . . . . 0.0 112.193 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 pp -170.16 177.02 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.8 p -68.54 155.11 93.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.0 86.7 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p -169.61 -42.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.46 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.81 -46.18 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 t -64.46 -42.61 95.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.91 -50.23 74.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.16 -28.26 66.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -46.52 75.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -69.94 -36.97 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.938 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.4 ' N ' HG23 ' A' ' 116' ' ' ILE . 70.8 t -58.62 -53.3 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.493 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.83 99.29 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.754 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -34.81 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.391 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 58' ' ' VAL . 3.9 tt -67.09 -57.04 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.62 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -60.63 -52.71 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.87 -41.16 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.14 87.12 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.55 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.94 -36.43 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.86 -48.54 68.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m -64.58 -32.76 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -68.11 -45.94 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.33 -46.81 87.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.91 94.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.77 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -33.5 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -66.48 -48.96 68.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -37.07 80.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.752 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -34.13 68.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.94 -46.36 74.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -73.0 -37.93 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.92 -37.51 87.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -67.57 -32.36 73.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -81.42 -49.36 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.7 t -67.09 -36.8 82.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 59.7 109.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.82 173.5 15.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -152.27 33.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.01 92.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.32 100.58 1.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.0 63.48 1.35 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.51 2.14 . . . . 0.0 112.216 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -166.5 156.93 12.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -88.67 -70.2 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.38 84.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -104.87 -29.69 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.1 p -95.94 21.6 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -120.47 -38.5 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 tp -60.83 -44.89 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.58 -44.79 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.8 m -63.11 -31.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.29 92.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.25 -43.73 95.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.08 -37.23 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.55 56.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.4 -34.36 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.78 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -66.14 -41.25 90.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.404 ' O ' HG23 ' A' ' 25' ' ' ILE . 49.0 t -66.1 -38.74 88.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -68.17 -40.19 82.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.58 -41.11 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.288 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 22' ' ' CYS . 3.5 tp -62.32 -35.34 68.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.031 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.24 -52.25 7.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.383 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.5 m -56.7 -27.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.046 0.45 . . . . 0.0 110.207 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -71.97 -53.47 12.93 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.738 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.59 -30.12 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -49.98 64.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.25 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -68.19 -35.91 78.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.733 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.44 -46.36 76.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.97 -33.15 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.06 -31.74 27.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.46 -34.04 69.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -53.27 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.79 -31.52 70.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.12 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.639 0.257 . . . . 0.0 111.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -55.57 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.23 -52.66 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -90.24 151.58 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.933 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.428 ' O ' ' CB ' ' A' ' 44' ' ' ASP . 8.4 m-70 64.51 -75.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 5.0 t70 82.21 -51.1 0.22 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.68 -26.59 67.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.71 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -58.85 -32.02 69.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.987 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -67.91 -50.16 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -66.98 -41.99 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.6 p -62.02 -44.61 96.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.47 -36.64 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -56.71 18.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.94 92.75 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.29 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -39.34 80.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.626 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.72 -35.33 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.12 -42.0 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.0 m -59.51 -53.52 57.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.647 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.407 HG23 HD23 ' A' ' 120' ' ' LEU . 8.5 p -59.96 -38.08 75.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.808 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -54.39 -47.43 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.423 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.19 -29.6 67.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.453 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.7 m -66.63 -51.34 57.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.82 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.86 -43.74 97.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -61.72 -38.39 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.29 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.23 -39.77 89.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.4 mt -70.44 -39.68 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.42 -39.37 77.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.19 -47.83 40.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.87 111.18 50.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.75 -163.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.425 2.083 . . . . 0.0 112.255 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 t -143.6 31.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.65 114.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.97 85.01 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 64.32 -78.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.83 -76.92 0.24 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.33 -55.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.755 0.312 . . . . 0.0 110.821 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -131.51 -46.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.5 -68.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.785 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 58.68 34.6 23.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.43 -74.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 38.2 m-85 -69.11 -60.16 4.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.087 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 82' ' ' TYR . 35.0 Cg_endo -65.02 130.48 25.91 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.277 1.985 . . . . 0.0 112.268 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.3 -47.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.44 160.95 30.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.66 132.94 6.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.3 102.94 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.095 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -90.75 88.32 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -176.49 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 p -99.44 -39.79 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.94 -41.5 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -100.44 148.13 25.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.5 tp -67.86 -60.88 2.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.7 m -63.06 139.22 97.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.32 99.88 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.557 2.172 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.24 112.53 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.13 -29.61 7.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.541 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.2 p -116.25 164.35 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.21 178.79 23.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -73.51 97.36 2.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.23 49.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 p -118.85 30.87 6.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.758 0.313 . . . . 0.0 110.983 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -162.43 141.48 7.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.72 -39.71 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.551 2.167 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 pp -175.4 170.5 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.6 p -81.41 162.66 57.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.39 85.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 p -165.77 -44.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.86 -43.47 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.4 mmm-85 -60.97 -49.0 79.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.01 -45.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.9 t -63.22 -37.29 86.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 116' ' ' ILE . . . -62.9 -48.2 80.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.14 -24.89 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.6 -46.39 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.22 -38.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.306 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.77 -51.25 74.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.07 -43.57 98.97 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.034 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -38.05 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.495 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.407 HD23 HG23 ' A' ' 58' ' ' VAL . 1.9 tt -63.92 -54.58 32.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -33.15 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.77 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -48.82 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -60.09 -48.73 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.754 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.62 -33.81 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.75 -51.37 59.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.336 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -45.7 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.56 99.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.0 m -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -65.17 -40.93 94.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.89 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.39 73.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.51 -53.73 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 26.9 p -64.9 -34.21 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -65.55 -45.57 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -62.87 -39.74 95.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -68.24 -37.19 80.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.67 -31.75 62.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -71.06 -38.21 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.67 -43.24 69.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -31.26 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.1 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.5 26.65 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 56.32 -177.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 14.0 mttp . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.9 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.17 -173.26 3.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.52 42.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -167.87 100.18 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.56 143.88 15.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.19 100.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.581 2.187 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -72.33 129.22 37.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.01 76.86 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.772 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -119.05 -30.66 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.211 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.65 116.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.9 m -95.77 20.9 9.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.55 -30.69 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.713 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.477 HD13 HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -71.26 -34.91 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.84 -34.05 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.2 t -69.43 -31.21 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.88 -31.18 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.55 -50.77 70.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -58.68 -30.39 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.08 -51.86 21.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -66.59 -35.11 79.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -69.01 -51.31 40.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.03 -35.94 69.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.64 -46.33 72.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.395 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.2 mm -61.01 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.29 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.54 -52.33 40.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.675 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.86 -27.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.114 0.483 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HE2' ' CG2' ' A' ' 57' ' ' THR . 54.2 tttp -74.73 -55.02 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -29.23 70.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -47.67 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.641 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.42 -35.08 79.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.92 -43.19 83.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -48.97 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.072 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.28 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -28.32 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -73.08 -37.52 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.61 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 -44.3 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.8 -24.21 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -59.06 3.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -29.58 37.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -81.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.142 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.03 90.55 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.74 -23.68 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.2 -24.36 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.337 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.91 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 111.541 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -35.52 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.166 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.43 -50.15 72.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -71.29 -32.27 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -47.82 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -42.94 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.67 -54.6 44.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.3 -31.28 74.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.69 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.47 -30.4 57.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.728 0.299 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.2 -35.12 59.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -73.0 -47.02 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 110.547 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.401 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -60.72 -49.33 77.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' HA ' HG23 ' A' ' 61' ' ' THR . 11.7 p -60.02 -44.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -54.9 -39.76 69.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.467 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -45.02 89.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 58' ' ' VAL . 4.3 t -67.95 -34.66 77.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.09 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -70.05 -32.29 70.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.79 -55.02 16.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.3 ptm -58.0 -49.52 76.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.283 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.1 tt -58.68 -36.08 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.69 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -61.81 -31.79 72.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.26 -45.23 81.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -93.72 103.89 11.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.54 93.16 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.3 p -129.8 26.09 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -148.65 177.28 9.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.77 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -113.62 -35.68 5.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.96 30.04 15.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.45 139.57 14.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -146.61 -62.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.87 -46.41 10.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -61.83 137.08 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.09 -47.63 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m 60.96 96.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -70.12 159.5 84.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -61.32 119.86 7.23 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.555 2.17 . . . . 0.0 112.291 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.4 m -83.0 -67.37 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.001 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 58.51 95.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -113.63 -166.76 16.26 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.515 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -127.56 153.1 46.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -161.12 30.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.37 -60.61 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.23 -54.67 5.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.29 -47.05 74.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.45 144.13 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.1 tp -78.62 -29.39 45.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -107.54 115.12 59.85 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.19 -22.87 34.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.406 2.07 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -60.11 3.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 97.14 -71.17 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.409 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 p -151.14 178.38 9.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.823 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.17 177.97 21.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -119.96 -178.99 3.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -112.99 -160.52 14.4 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.396 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -101.37 -32.28 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -114.26 161.61 27.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.67 -28.84 87.62 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.606 2.204 . . . . 0.0 112.196 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.2 tt -148.13 157.04 43.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 t -57.07 148.64 49.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.47 91.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.754 2.302 . . . . 0.0 112.297 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.17 -47.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.718 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.36 -45.91 13.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -46.51 71.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.5 HG22 HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -62.1 -44.51 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 t -70.34 -36.47 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.93 -38.05 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.38 -32.61 55.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.09 -42.18 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.435 HG21 HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -70.06 -45.73 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.274 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' A' ' 116' ' ' ILE . 7.4 p -58.07 -45.46 88.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.706 0.289 . . . . 0.0 110.514 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.4 94.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.791 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.21 -31.13 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.658 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.52 -56.59 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -37.57 82.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -55.78 -48.58 75.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -33.93 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.29 -45.33 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.652 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.36 -45.49 96.33 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.123 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.97 93.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.16 -39.99 71.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 m -65.13 -42.44 93.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -35.61 76.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.747 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.1 tt -69.72 -55.09 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.79 74.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.89 -35.4 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 7.3 m -68.99 -50.23 50.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -38.75 92.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.836 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -67.19 -36.14 81.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -57.82 9.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.36 98.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -59.74 -35.02 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.89 -43.0 14.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.15 -39.91 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.32 -52.18 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.051 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.26 -32.39 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.85 -45.76 70.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m 65.43 -75.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.577 0.227 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 69.01 -64.78 0.31 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.869 0.366 . . . . 0.0 110.67 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -83.07 -32.25 26.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.811 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.91 75.78 1.0 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.475 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.37 -55.49 3.57 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.608 2.205 . . . . 0.0 112.376 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.5 116.24 11.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -54.21 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.84 -50.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.24 89.31 0.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 3.9 t -144.91 149.39 35.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 11' ' ' SER . 1.9 m-70 81.56 -17.82 0.53 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.797 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.43 HG22 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -64.41 -35.61 74.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.917 0.389 . . . . 0.0 110.719 179.718 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.28 -38.51 79.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.7 m -74.76 -35.24 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.4 -41.53 94.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.9 -32.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.46 -51.86 34.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.292 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.92 -44.4 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.351 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 25' ' ' ILE . 24.8 mttt -57.7 -47.82 81.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.417 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.9 -46.55 71.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -36.09 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.26 -35.07 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 21' ' ' LYS . 45.8 mm -62.49 -51.2 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.47 52.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.403 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.92 -27.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.071 0.462 . . . . 0.0 110.066 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -54.89 6.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.965 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.01 -32.41 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -49.65 60.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -66.74 -34.83 78.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.9 tp -68.17 -43.78 77.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.732 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.7 -49.78 76.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -36.75 78.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.79 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -76.67 -32.05 57.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.77 -41.86 99.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.791 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.63 -41.94 95.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -49.91 58.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.73 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.055 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.63 85.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -80.49 -31.06 37.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -77.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -145.87 -82.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 176.0 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.06 -42.18 84.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.37 -32.93 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.41 -51.1 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -66.81 -39.25 87.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.799 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -52.24 66.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -39.56 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.777 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.13 -37.64 78.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.77 -56.63 19.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.23 -35.69 92.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.436 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -47.94 72.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.833 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.9 -34.77 75.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -66.38 -41.96 88.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.555 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.1 m -63.48 -54.48 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG2' ' CD2' ' A' ' 120' ' ' LEU . 1.0 OUTLIER -56.88 -34.61 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -66.41 -38.84 88.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -69.35 -45.31 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.409 HG21 ' O ' ' A' ' 58' ' ' VAL . 2.0 t -64.03 -41.17 97.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.138 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.34 -49.47 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -57.08 -40.52 77.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.66 84.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -46.42 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.88 -39.32 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -41.04 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.738 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -34.93 62.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.57 -42.64 70.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.5 114.7 53.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.81 133.39 39.39 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.415 2.077 . . . . 0.0 112.373 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.45 88.98 4.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -111.85 -68.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -107.86 -179.17 3.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.44 -49.65 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.0 162.15 9.46 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.74 -169.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.66 179.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.61 157.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.08 -40.46 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 83' ' ' PRO . 23.9 p -72.35 156.54 38.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.746 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.604 ' N ' ' CD ' ' A' ' 83' ' ' PRO . 2.7 p90 -88.63 -32.02 0.39 Allowed Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 82' ' ' TYR . 90.4 Cg_endo -83.6 132.36 5.75 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.836 1.691 . . . . 0.0 112.343 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 t -81.17 120.75 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.042 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 59.68 110.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.233 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.65 51.27 3.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.345 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.42 150.39 7.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.9 89.72 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.9 -51.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.8 t -99.21 -46.3 5.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -69.47 -37.32 77.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.69 151.52 25.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.2 mp -109.72 -44.97 3.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.9 m -83.65 147.01 51.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.69 177.59 7.36 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.563 2.175 . . . . 0.0 112.295 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -89.73 121.63 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.79 -49.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 m -118.44 -46.29 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.17 -115.31 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.49 173.96 6.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 110.817 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 162.88 151.75 6.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.57 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.73 37.33 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.921 0.391 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.7 t -93.79 108.74 36.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.15 -41.79 6.74 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.483 2.122 . . . . 0.0 112.273 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.53 176.87 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.783 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.6 p -59.25 167.18 2.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.984 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.46 64.06 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.788 2.326 . . . . 0.0 112.314 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.53 -38.7 2.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.64 -29.27 33.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -49.19 76.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -34.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.013 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -61.05 -52.87 63.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -66.12 -51.09 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.54 -49.09 78.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.85 -39.21 73.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 9.6 mm -60.6 -47.44 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.744 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 16.0 t -57.78 -46.73 87.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.36 -50.31 66.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.298 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -40.55 97.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.409 ' CD2' ' CG2' ' A' ' 58' ' ' VAL . 3.4 tt -63.19 -52.78 60.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -34.55 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -69.41 -40.77 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -44.24 79.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.588 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.1 t -64.99 -40.24 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.43 91.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.176 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.56 98.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.4 tt -68.74 -40.26 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -43.79 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -35.14 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.653 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -64.58 -41.83 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.3 tt -68.42 -38.86 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.684 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.8 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 -39.97 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.76 -49.21 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -61.52 -43.32 99.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.731 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.59 -42.61 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.88 -40.99 99.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.54 74.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -37.34 65.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.738 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -65.84 -34.47 78.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -67.41 -28.17 67.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.17 -28.4 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 m -106.51 38.01 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.014 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.33 168.56 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 60.9 mttt . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.914 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.74 159.3 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -58.45 -29.49 66.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -110.91 -53.04 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.05 59.76 0.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.672 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.6 -44.34 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.571 2.181 . . . . 0.0 112.274 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -152.11 175.18 12.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 -53.13 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -112.7 61.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -127.96 156.12 43.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 t -166.01 -43.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -57.27 -22.36 41.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -60.65 -26.69 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.102 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -56.21 -34.55 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.115 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -64.92 -43.16 93.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.52 80.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -59.13 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -61.93 -30.6 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.96 -51.83 42.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.5 -48.72 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 110.455 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -50.44 73.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -53.91 -41.8 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.93 -40.51 89.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.407 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.5 -38.9 85.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.15 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.6 mm -59.57 -46.82 92.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.25 -52.41 44.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.581 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 m -56.87 -28.57 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.139 0.495 . . . . 0.0 110.063 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.97 -54.88 6.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.846 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.5 -30.04 71.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.46 -50.31 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.382 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.594 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.22 -43.48 70.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.87 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.93 -36.11 83.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -79.55 -30.6 41.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tp -66.24 -56.36 11.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.27 -58.04 10.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -22.05 66.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.696 0.284 . . . . 0.0 111.235 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.446 ' O ' ' CE ' ' A' ' 40' ' ' MET . 6.8 tpt -60.33 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.62 -30.49 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -70.92 -75.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -114.8 -143.34 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.438 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.44 -43.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.12 -22.96 51.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.945 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -50.92 69.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.269 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 pp -66.32 -38.92 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.795 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.33 -48.1 81.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.737 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -58.91 -37.22 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.764 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -49.74 76.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.94 92.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.166 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.21 -31.93 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.75 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.83 -40.32 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.19 -36.4 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.2 m -65.27 -53.41 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.439 ' HA ' HG23 ' A' ' 61' ' ' THR . 1.5 p -60.04 -34.9 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.02 0.438 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -63.7 -43.0 97.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.772 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.44 -49.66 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 58' ' ' VAL . 4.9 t -60.79 -30.87 70.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.22 -42.99 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -63.12 -33.24 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.64 -44.96 61.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.8 ttp -60.5 -42.57 96.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mt -69.57 -40.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -32.81 58.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -49.76 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.778 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.67 113.99 7.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.4 -169.43 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.46 2.107 . . . . 0.0 112.31 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.85 48.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.07 102.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -113.51 -37.37 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.77 96.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.56 28.77 2.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -104.77 160.12 15.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.1 -62.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -79.87 150.97 30.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -113.0 139.85 48.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 m -126.97 166.37 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -141.84 117.54 7.05 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 105.45 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.308 2.006 . . . . 0.0 112.383 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 77.9 p -120.85 31.9 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.46 96.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.52 39.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.78 111.94 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.335 . . . . 0.0 111.083 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -147.59 39.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -100.03 -71.83 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.0 p -113.25 -37.51 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.79 -34.7 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.07 131.08 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.55 31.59 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.9 m -120.84 153.71 57.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.35 -39.48 5.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.523 2.149 . . . . 0.0 112.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.5 100.69 10.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.81 -28.48 6.96 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 t -165.2 128.57 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.91 48.31 1.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.52 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -134.29 105.71 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -130.67 140.37 11.71 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.9 p -109.03 -46.11 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -89.91 149.54 42.02 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.13 -43.58 1.51 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.544 2.163 . . . . 0.0 112.391 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.51 172.1 18.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.971 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.91 163.73 7.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.32 67.02 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.788 2.325 . . . . 0.0 112.115 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.5 p -128.16 -44.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.06 -54.19 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -59.59 -45.84 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.451 HG23 HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -64.82 -44.89 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.0 t -66.95 -34.19 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.766 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.418 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -68.99 -50.88 45.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -28.55 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -70.33 -46.55 63.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.472 HD11 HG23 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -67.54 -37.92 79.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.53 -53.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.59 99.61 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.084 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.68 -33.83 74.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.675 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.4 HD21 ' CG2' ' A' ' 58' ' ' VAL . 6.9 tt -61.02 -56.82 16.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -31.71 72.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -57.93 -45.33 86.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.314 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.25 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.47 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.686 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.6 62.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.072 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.11 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.84 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.03 -46.61 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.684 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -49.21 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.6 p -64.53 -39.23 93.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -39.83 94.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.782 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.09 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.26 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.99 -44.46 69.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -42.94 98.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.7 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -61.47 -48.17 82.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.746 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -65.11 -30.85 71.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.749 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -31.77 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.99 -43.6 43.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -31.26 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -74.67 -37.36 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -72.5 -31.15 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.66 -37.78 87.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.7 m -120.86 30.85 6.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -177.53 -171.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -97.13 154.92 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.34 31.91 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -151.41 -49.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.92 150.52 27.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.24 78.6 1.16 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.568 2.179 . . . . 0.0 112.277 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 63.48 140.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.57 80.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.29 -67.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -176.91 37.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.93 -57.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -76.63 -31.84 57.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 HG23 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -69.09 -44.96 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p -63.54 -33.82 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -70.61 -31.24 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.62 -47.0 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 t -69.21 -33.08 56.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.98 -51.71 43.26 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.47 -34.03 77.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.903 0.382 . . . . 0.0 110.821 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -75.07 -37.29 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.7 t -63.93 -40.11 95.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -71.02 -51.87 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.32 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 tp -58.14 -38.67 69.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.19 -52.25 53.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.869 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.58 -27.39 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.188 0.518 . . . . 0.0 109.763 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HE2' HG22 ' A' ' 57' ' ' THR . 3.4 tmtm? -62.99 -55.11 28.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.069 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -34.34 74.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.39 -50.2 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -62.5 -32.02 72.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.572 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' A' ' 51' ' ' LEU . 1.6 mt -60.05 -52.68 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.64 -37.39 86.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -31.52 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -47.74 84.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.22 -39.86 94.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.406 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -69.76 -50.43 30.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.683 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.84 -13.84 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.502 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -53.83 50.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 42' ' ' SER . 23.5 p90 -80.49 -41.82 23.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.437 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 68.9 p -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.85 102.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -83.79 -19.19 35.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.349 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -82.84 -32.64 27.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.847 0.356 . . . . 0.0 110.773 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.95 -33.04 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.696 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -58.99 -50.25 74.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -67.49 -49.43 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.435 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -52.72 -47.12 67.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.584 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.402 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 2.7 mm? -62.84 -35.93 81.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.296 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -56.31 -41.17 75.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.939 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.2 -39.98 71.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.04 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -59.95 -40.71 89.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 0.0 110.643 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -72.42 -34.73 68.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.904 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -64.77 -34.12 77.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.436 HG22 ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -79.47 -42.19 25.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 61' ' ' THR . 6.2 p -66.83 -34.63 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.427 . . . . 0.0 110.607 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -73.43 -43.28 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.32 -41.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.754 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 58' ' ' VAL . 7.1 t -64.96 -44.2 90.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.414 ' CD1' HG22 ' A' ' 117' ' ' VAL . 13.4 mt -62.94 -35.43 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.1 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.182 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.77 97.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.578 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 ttp -59.78 -52.51 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.762 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 mt -58.86 -30.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 tp -70.72 -33.33 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -37.26 56.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -73.77 -28.1 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -99.94 98.29 7.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.44 103.28 1.25 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.581 2.187 . . . . 0.0 112.366 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p -120.57 59.29 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -67.43 178.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -109.59 151.34 26.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.62 -31.46 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.62 -104.18 3.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.64 -30.97 7.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.77 106.18 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.14 89.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.48 165.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m 60.48 -177.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.66 96.19 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.65 144.9 18.53 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.549 2.166 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.96 129.53 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.1 118.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.24 51.46 0.82 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.596 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.63 173.9 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -75.13 -43.73 51.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -176.67 94.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 p -110.62 -40.0 4.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.798 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.07 -27.61 65.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.27 -65.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.161 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 tt -162.89 -66.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.4 m -109.05 125.61 31.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.67 -62.49 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.43 2.087 . . . . 0.0 112.249 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -122.21 166.78 14.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.96 43.95 2.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.9 -66.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.56 103.13 0.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -83.93 -29.88 26.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.839 0.352 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.26 -122.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.9 t -175.05 113.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.8 p -152.48 107.44 2.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.02 -74.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.366 2.044 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.87 -178.25 6.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.0 t -63.68 144.28 97.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.53 88.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.513 2.142 . . . . 0.0 112.229 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.7 p -165.62 -45.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.39 -34.88 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.03 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -60.77 -48.94 79.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.74 -44.85 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.6 t -65.61 -42.94 91.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.38 -28.09 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.38 -46.57 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.53 -46.57 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' A' ' 62' ' ' LEU . 7.6 p -60.86 -43.96 96.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.96 -39.69 95.0 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.621 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.55 -36.34 80.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.925 0.393 . . . . 0.0 110.256 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.3 -50.4 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.489 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -40.87 91.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -47.09 87.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 38.3 t -69.46 -34.06 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.71 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.76 -39.86 98.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.192 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.77 63.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 110.788 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.92 -49.31 62.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.719 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -34.58 78.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.7 m -60.12 -51.14 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -68.05 -30.54 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.07 -55.31 35.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.67 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.14 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.996 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 5.7 m -70.3 -41.18 73.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 mtm105 -62.19 -49.92 73.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.739 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.43 -39.72 88.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.65 -41.99 71.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.63 94.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -71.03 -39.86 72.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -66.97 -38.67 86.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.799 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -65.14 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.86 -33.81 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.88 -29.8 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 60.44 167.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -117.62 75.89 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -84.93 58.14 4.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -68.66 -37.63 79.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.18 81.68 1.31 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.588 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.74 -40.44 84.65 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.534 2.156 . . . . 0.0 112.275 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 21.2 m95 60.89 106.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -164.51 31.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -91.04 -30.7 16.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -58.71 -67.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.31 23.52 10.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -113.65 -23.66 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.4 tp -60.66 -44.23 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.91 -36.79 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -75.37 -31.87 60.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -33.74 74.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.59 -32.76 70.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.15 -35.62 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.79 54.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.268 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -67.37 -46.71 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.4 . . . . 0.0 110.485 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' O ' HG12 ' A' ' 25' ' ' ILE . 33.5 mttt -57.4 -51.29 70.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.576 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.97 -43.48 69.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.38 -34.93 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.373 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.0 -38.95 66.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.947 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 21' ' ' LYS . 39.4 mm -61.46 -35.34 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -52.07 6.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.8 m -56.51 -27.26 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.403 . . . . 0.0 110.321 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -74.86 -53.85 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.844 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.09 -35.62 71.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -50.12 53.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.759 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.68 -45.32 93.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.742 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.63 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.58 -50.96 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.76 -35.85 79.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -31.67 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -46.72 78.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -53.19 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.23 95.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.32 -17.87 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.65 0.262 . . . . 0.0 111.397 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -58.07 9.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -79.89 -37.73 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -93.31 100.32 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t60 59.96 106.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -80.27 -26.52 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.55 -33.23 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.011 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.27 71.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -69.45 -47.15 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -62.1 -46.72 87.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -46.61 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.71 -33.66 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.741 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -52.61 64.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.37 -30.24 67.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.384 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.64 -32.87 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 58' ' ' VAL . 2.7 mm? -76.92 -34.94 57.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -69.52 -47.34 64.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 t -63.94 -48.93 74.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' HA ' HG23 ' A' ' 61' ' ' THR . 1.5 p -59.44 -34.79 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.774 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -36.33 80.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.193 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.54 98.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.653 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.43 HG23 ' HA ' ' A' ' 58' ' ' VAL . 14.4 t -71.61 -31.34 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -43.89 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -71.44 -35.38 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.94 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.3 ttp -69.1 -51.26 40.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.5 tt -58.6 -34.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.32 -38.16 71.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -73.82 -31.55 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.83 -53.97 6.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -107.54 97.48 19.89 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.02 -173.48 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.384 2.056 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -121.89 80.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.65 -175.77 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -129.64 -46.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.94 -75.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.6 -130.01 9.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.56 143.26 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.75 -71.42 0.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 t -98.93 123.66 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -171.77 -70.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -116.31 105.64 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.429 ' CB ' ' CD ' ' A' ' 83' ' ' PRO . 1.1 m-85 -72.66 -62.58 1.35 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 82' ' ' TYR . 30.5 Cg_endo -64.03 145.2 89.39 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.327 2.018 . . . . 0.0 112.341 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -134.91 97.3 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.24 -33.6 26.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.061 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.66 138.64 48.24 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.61 169.3 17.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.69 105.53 6.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 60.03 36.6 21.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -73.97 -35.7 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -32.43 73.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.51 175.53 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.6 mp -97.68 -31.44 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.7 t -66.05 116.29 31.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.62 137.89 49.49 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.468 2.112 . . . . 0.0 112.349 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -178.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.6 -113.2 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 t -97.22 113.48 25.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.6 -29.9 65.0 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -104.21 106.66 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.27 -167.85 34.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -171.12 35.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.333 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -80.59 145.6 59.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.01 -49.45 17.56 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.496 2.131 . . . . 0.0 112.331 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -164.75 -179.76 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.4 p -59.95 154.48 48.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.35 63.04 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.508 2.139 . . . . 0.0 112.215 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -127.8 -41.6 1.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.77 -29.96 36.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -67.26 -49.16 65.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -60.66 -34.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.73 -42.37 86.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.74 -37.33 67.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.298 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.64 -33.49 47.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -74.2 -37.62 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.464 HD11 HG22 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -71.98 -44.78 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.819 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 116' ' ' ILE . 29.7 m -60.17 -45.72 95.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.869 0.366 . . . . 0.0 110.336 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.11 -41.38 99.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.554 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -33.24 73.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.117 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.47 -56.83 14.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.478 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -56.42 -40.43 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -58.79 -43.11 90.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -39.65 88.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.553 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.2 t -62.97 -43.71 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.86 -49.44 78.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.288 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.85 85.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 tt -70.1 -42.34 72.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.665 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -42.61 97.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.1 m -63.9 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.701 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.1 -41.67 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.54 -47.6 75.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.722 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.43 80.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m -62.44 -37.54 86.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.644 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -61.21 -52.26 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.754 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -67.09 -30.77 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.59 -47.89 84.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -80.83 -32.47 35.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -71.4 -33.06 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.85 -39.87 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -30.59 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.05 -56.18 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.6 p -98.47 29.07 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.057 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 57.31 -174.48 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 m -145.89 -52.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.13 31.09 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -171.7 111.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.91 105.97 0.57 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' O ' ' CG ' ' A' ' 7' ' ' TRP . 68.7 Cg_exo -51.16 89.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.591 2.194 . . . . 0.0 112.385 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.412 ' CG ' ' O ' ' A' ' 6' ' ' PRO . 63.4 m95 -163.98 -177.96 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -113.91 -49.38 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -168.54 77.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -96.85 122.29 39.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -125.96 88.82 2.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.776 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -165.23 -41.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 tp -60.57 -42.93 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.028 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -63.19 -40.28 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.072 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -73.33 -30.94 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.26 -37.33 57.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.0 -45.55 86.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.6 -29.32 30.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.58 41.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.631 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.21 -34.06 70.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.933 0.397 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -68.4 -48.5 64.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.96 -37.09 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.16 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -51.94 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.388 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.08 -47.91 72.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 tp -58.18 -36.95 59.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.14 -52.24 46.12 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.062 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.8 t -57.43 -27.22 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.08 0.467 . . . . 0.0 109.978 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -69.2 -54.86 12.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.052 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -42.36 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -45.95 92.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.81 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.812 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.42 -46.11 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.21 -40.63 90.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.06 87.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.05 -35.02 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.08 -40.72 90.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -57.04 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.24 68.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.57 67.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.349 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -59.13 5.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.818 0.342 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.11 -26.6 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -58.13 -54.21 49.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 -36.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.7 t70 76.91 15.51 1.92 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.104 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -114.82 -42.38 3.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 110.369 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.76 83.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.772 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.22 -32.85 73.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.446 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.645 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -51.78 66.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.627 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -40.67 88.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.569 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.17 84.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.98 -30.15 70.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.241 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -31.74 61.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.789 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.12 -34.9 56.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.86 -46.1 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 t -63.83 -51.1 66.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 61' ' ' THR . 11.7 p -57.69 -39.93 72.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -63.87 -39.64 94.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.432 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -38.13 77.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.983 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 62' ' ' LEU . 1.4 t -71.56 -30.64 66.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.799 0.333 . . . . 0.0 110.968 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' N ' HG22 ' A' ' 61' ' ' THR . 24.2 mt -78.11 -34.28 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -36.3 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.432 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.12 65.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.693 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttp -59.69 -51.06 71.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.816 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -39.13 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.1 -31.5 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -33.83 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.64 -56.98 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.75 96.52 5.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.74 -45.32 3.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.364 2.043 . . . . 0.0 112.389 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -160.45 -66.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.66 132.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.3 -177.73 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.63 137.99 36.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.51 121.56 0.58 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.538 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.05 122.59 46.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -108.75 96.67 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -120.72 -168.53 1.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 61.49 153.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.8 t -82.62 164.55 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.434 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 0.3 OUTLIER -179.01 -61.19 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 82' ' ' TYR . 28.1 Cg_endo -62.53 110.96 1.18 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.426 2.084 . . . . 0.0 112.215 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.5 p -60.31 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.71 -45.99 2.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.34 25.41 5.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.609 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 57.7 166.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.72 55.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 60.4 79.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 t -107.66 -31.78 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -70.79 -30.85 67.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.7 90.31 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.74 159.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.79 93.97 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.81 -179.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.583 2.189 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 152.4 34.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.6 -108.05 3.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.74 174.26 15.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.13 -53.45 14.29 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.09 135.56 51.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.19 -172.63 23.82 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.1 t -162.78 -46.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m 60.03 107.46 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.768 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.4 -47.36 0.4 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.429 2.086 . . . . 0.0 112.447 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 pp -179.86 -177.74 0.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.23 164.71 20.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 87.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.612 2.208 . . . . 0.0 112.255 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 m -164.6 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.37 -42.66 20.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -76.82 -42.22 41.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -60.41 -43.04 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 52.0 p -63.77 -39.42 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.67 -52.62 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.33 -25.36 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.725 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.02 -46.58 70.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -68.65 -36.68 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.738 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.45 ' N ' HG21 ' A' ' 116' ' ' ILE . 43.4 t -59.03 -48.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.627 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.1 96.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.934 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.93 83.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.73 -53.47 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -35.89 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -65.38 -52.7 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.548 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -59.93 -44.6 94.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.453 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 32.8 t -66.41 -34.79 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.768 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.16 48.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.302 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.16 93.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.674 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.58 -33.55 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.64 -45.05 65.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.847 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -44.36 95.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -39.76 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -45.06 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.05 89.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.74 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.67 -58.19 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -61.01 -39.77 91.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -64.56 -37.45 87.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -67.1 -36.38 81.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -79.31 -35.69 40.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -38.39 88.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.03 -31.46 72.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -69.78 -52.73 22.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.88 92.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 m -60.18 -31.36 70.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -64.26 130.06 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.899 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.37 89.98 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.759 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -105.76 30.73 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -28.18 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.8 -59.78 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.725 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -42.49 -60.84 0.63 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.83 2.354 . . . . 0.0 112.831 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.409 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 3.6 m0 -111.63 136.34 50.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -75.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.754 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -88.9 -46.96 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -178.88 143.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 49.1 m -156.64 144.97 19.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.437 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 8.8 m170 82.67 -17.74 0.5 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.693 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -60.53 -33.57 54.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -62.9 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.4 p -76.01 -36.99 58.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.82 89.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.64 -33.49 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.674 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 t -69.65 -37.07 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.79 47.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.377 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.17 -48.04 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.599 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -60.0 -49.55 77.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.574 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.0 t -53.87 -39.81 66.0 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -47.74 85.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.71 -35.42 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.401 ' CG2' HD13 ' A' ' 120' ' ' LEU . 25.9 mm -62.6 -42.83 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.28 31.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.367 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.2 m -56.98 -27.44 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.09 0.471 . . . . 0.0 110.18 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -72.36 -55.02 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.022 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.21 -29.39 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.26 -50.31 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.326 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -66.7 -31.01 71.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.676 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.45 -41.41 89.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.18 -42.43 79.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.94 -31.97 73.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -83.78 -38.54 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.12 -47.94 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -45.22 93.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.11 -49.35 34.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.579 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.91 -21.41 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.436 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -59.32 5.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 42' ' ' SER . 7.5 p90 -80.61 -29.65 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 28.2 t -73.74 -76.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.056 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.54 113.96 6.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.37 -18.57 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.207 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.95 -33.1 65.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.01 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.05 -34.92 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.421 ' CE1' HD23 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -60.46 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.792 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.64 -51.15 68.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.9 m -59.35 -40.34 86.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -38.44 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.69 -56.38 22.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.07 82.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.112 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.98 93.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.713 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.06 -43.39 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.803 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -63.88 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.9 m -68.63 -56.95 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 61' ' ' THR . 6.2 p -62.88 -36.48 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -62.07 -38.84 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.271 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.88 -45.51 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.673 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 58' ' ' VAL . 3.7 t -69.85 -27.26 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.713 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -47.98 72.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -38.89 90.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.574 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 ttp -59.94 -49.6 77.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.3 pt -68.35 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.97 -41.33 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -39.91 68.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.21 -57.07 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -79.69 152.36 75.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.11 126.91 13.6 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.616 2.211 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.2 p -138.49 38.18 2.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -75.1 113.83 12.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.49 158.44 18.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 60.48 30.77 20.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.55 -123.02 24.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -143.34 -47.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.08 40.31 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.023 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 t -141.37 104.12 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.22 142.18 21.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.0 t -135.09 149.37 50.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.33 89.61 36.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.51 112.45 2.84 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.531 2.154 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.39 103.87 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.74 -46.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.62 -131.61 2.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -153.26 116.11 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 111.02 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -72.67 -64.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.98 34.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.1 p -58.49 -30.89 67.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.11 -35.63 80.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.07 -71.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.86 -54.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.34 134.54 19.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.01 -41.27 2.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.454 2.103 . . . . 0.0 112.271 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.73 -76.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.63 -30.28 8.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -55.8 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.05 164.33 27.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.92 -50.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.55 134.02 11.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.443 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 p -151.76 101.42 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.99 114.84 37.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.743 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.49 -26.69 40.26 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.339 2.026 . . . . 0.0 112.386 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.03 127.47 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.956 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.62 174.26 3.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.31 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.2 8.22 0.53 Allowed 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.698 2.266 . . . . 0.0 112.83 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -118.56 -29.84 5.32 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.24 -28.28 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.24 14.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 1.1 pp -64.74 -38.52 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 t -62.75 -40.32 96.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.92 -50.89 20.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.484 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.1 -38.31 87.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.282 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 111' ' ' ILE . 1.4 t30 -65.61 -46.43 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.125 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -63.29 -36.89 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.24 . . . . 0.0 110.787 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.419 ' N ' HG23 ' A' ' 116' ' ' ILE . 58.2 t -60.24 -52.15 64.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.0 86.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.998 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -76.78 -29.11 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.401 HD13 ' CG2' ' A' ' 25' ' ' ILE . 6.9 tp -67.56 -52.38 39.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.946 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.531 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 3.9 ptm180 -55.74 -45.49 77.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.93 0.395 . . . . 0.0 110.022 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.11 96.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.702 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.88 -35.99 76.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.493 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.03 -50.22 67.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.038 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -40.56 86.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.558 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 tp -69.53 -36.66 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -50.26 70.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.602 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -38.82 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.558 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -63.43 -34.36 77.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -68.03 -45.82 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.95 91.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.984 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 6.3 m -68.82 -35.34 76.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.656 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -61.37 -51.34 69.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -63.53 -36.36 83.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -70.7 -34.98 72.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.33 -46.43 40.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.37 -38.03 89.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.59 -31.95 60.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.791 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -66.57 -28.85 68.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.48 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.7 m -75.7 -37.04 59.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.89 94.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.291 -0.862 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -142.4 -47.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 70.29 -62.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.94 -149.13 0.42 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.159 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.11 89.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.562 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -79.79 1.38 9.27 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.707 2.271 . . . . 0.0 112.922 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.401 ' HA ' ' CE3' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -118.22 -175.73 2.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.947 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.0 -40.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.33 -55.15 15.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.27 81.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.74 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.61 -30.95 22.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 tp -60.95 -45.03 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.81 -38.71 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 m -68.44 -31.81 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.59 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.65 -37.36 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.95 -34.72 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.18 -51.73 41.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.294 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.22 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.314 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' O ' HG12 ' A' ' 25' ' ' ILE . 51.6 mttt -58.41 -51.28 70.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -53.84 -46.29 71.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -55.69 -39.75 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.331 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.2 84.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.902 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 21' ' ' LYS . 47.5 mm -59.51 -48.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.53 -52.38 49.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.509 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.3 m -58.05 -27.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HE2' ' CG2' ' A' ' 57' ' ' THR . 1.5 tptp -74.8 -53.91 8.29 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.989 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.81 -30.38 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -50.29 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.438 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.28 69.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tt -70.11 -47.65 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.38 -49.55 77.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.68 -35.96 79.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.0 -49.57 69.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.82 -41.07 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.98 -50.8 27.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.71 -16.93 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.601 0.239 . . . . 0.0 111.512 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.407 ' HB3' ' HE2' ' A' ' 40' ' ' MET . 0.0 OUTLIER -58.39 -59.17 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.666 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -50.4 12.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -73.1 86.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 61.15 113.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -73.89 -25.66 60.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.38 -43.19 71.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.85 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.91 -49.85 74.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.764 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -62.43 -45.65 92.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -59.79 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -58.18 -49.81 75.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -30.55 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -56.53 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.733 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -32.9 65.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.289 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -45.54 92.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.675 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.76 -34.66 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.96 -47.33 78.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 58' ' ' VAL . 12.7 t -70.29 -33.87 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.161 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -72.27 -34.62 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.723 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 58' ' ' VAL . 1.5 mttt -71.7 -34.42 69.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.038 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.61 -42.81 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.41 HG22 HD23 ' A' ' 62' ' ' LEU . 12.1 t -68.87 -36.77 78.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD23 HG22 ' A' ' 61' ' ' THR . 0.9 OUTLIER -64.43 -52.21 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -58.84 -47.24 85.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.689 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.93 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.4 ttm -67.05 -48.92 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.62 -39.03 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -45.93 89.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -32.19 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.636 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -45.57 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -90.71 133.27 32.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.778 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 -44.74 1.76 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.481 2.121 . . . . 0.0 112.272 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -176.57 106.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -49.66 46.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -139.3 149.21 43.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.57 -65.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.84 -118.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 60.26 102.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -106.6 -56.74 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.25 159.84 25.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.8 110.28 19.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -123.93 -43.02 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -81.01 110.69 18.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -73.19 122.1 7.76 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.458 2.105 . . . . 0.0 112.339 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.6 t -90.45 -45.41 8.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 59.13 93.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.53 -172.51 15.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.57 -55.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -163.78 -71.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -134.92 25.6 3.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -75.61 -47.47 26.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -59.25 -29.26 67.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.19 -63.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.89 -54.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -80.72 111.04 19.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.51 154.17 50.07 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.519 2.146 . . . . 0.0 112.256 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -153.15 150.53 29.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.63 169.33 18.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.588 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.7 m 60.17 106.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -121.13 -42.97 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 65.14 -77.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.825 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.7 -89.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -170.01 121.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.781 0.324 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.5 t -119.29 107.49 41.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.04 -56.19 2.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.422 2.082 . . . . 0.0 112.278 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -165.35 -176.78 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.1 p -70.97 157.76 89.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.76 91.51 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.796 2.331 . . . . 0.0 112.215 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.1 t -164.12 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.82 59.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -49.0 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.44 -43.73 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.5 t -58.9 -51.51 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.7 -56.27 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -70.94 -30.63 66.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 29.8 mm -74.17 -48.42 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.25 -42.39 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.041 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.78 -47.73 73.24 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -35.14 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 4.4 tt -67.63 -52.19 41.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.758 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.01 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -60.21 -51.91 67.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -40.47 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.7 -35.83 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.29 99.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.14 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.66 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.46 -49.8 51.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.6 t -69.8 -35.32 74.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.383 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -67.73 -41.58 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.96 -51.16 70.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.2 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.987 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.9 p -59.94 -38.04 81.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.2 -50.28 74.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -65.13 -32.31 73.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.66 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -63.52 -45.31 91.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.635 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.18 95.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.998 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -63.87 -38.46 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -33.6 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.736 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.43 -29.28 68.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.3 -30.96 65.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.73 -42.04 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.16 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.896 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 6.5 m -99.46 -59.37 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.735 0.303 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 69.45 -64.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.809 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 2' ' ' SER . 32.8 p90 -52.96 -33.77 52.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.465 ' HA2' ' HD3' ' A' ' 6' ' ' PRO . . . 63.88 137.46 0.01 OUTLIER Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.455 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.465 ' HD3' ' HA2' ' A' ' 5' ' ' GLY . 6.3 Cg_exo -77.65 56.9 5.78 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.727 2.284 . . . . 0.0 112.156 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -104.16 110.56 22.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tttt 59.73 72.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -106.62 -35.74 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -142.57 176.68 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 90.8 p -151.77 146.56 25.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 11' ' ' SER . 5.5 t60 84.71 -36.35 0.05 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.41 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 tp -69.79 65.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.451 . . . . 0.0 111.052 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -112.54 -31.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -66.71 -32.7 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.41 -40.99 89.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.41 -44.56 92.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -69.03 -30.85 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.19 -51.68 26.58 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.414 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -68.0 -46.33 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.359 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -57.6 -51.32 70.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -54.66 -44.23 73.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.7 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.41 -36.51 84.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.5 mm -59.35 -50.78 78.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.17 -52.11 54.75 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.534 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.3 t -56.63 -27.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.052 0.454 . . . . 0.0 110.208 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -54.93 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.13 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.37 -30.89 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.0 -50.24 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -36.76 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.06 -49.51 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.81 -37.12 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.53 -41.87 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -81.18 -30.42 34.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.41 -40.36 89.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -51.95 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.5 -44.42 97.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.61 -19.74 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.396 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -56.31 17.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.179 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.27 -52.71 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.3 m -90.63 117.52 29.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.414 ' CE1' ' HB2' ' A' ' 45' ' ' GLU . 0.6 OUTLIER 57.32 101.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -92.39 47.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 12.0 mm-40 -130.66 -44.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -32.92 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.31 -39.7 85.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -64.45 -45.39 87.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -49.75 75.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.9 t -58.81 -37.97 77.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.748 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.06 -42.79 96.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -58.43 -45.93 87.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.33 -29.37 73.12 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.29 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.12 -32.46 50.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.935 0.398 . . . . 0.0 110.723 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.8 -34.93 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -73.26 -47.45 42.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -60.03 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.634 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' A' ' 61' ' ' THR . 9.2 p -60.83 -39.84 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.642 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.067 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.51 -43.19 77.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.609 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' ' 58' ' ' VAL . 5.3 t -71.17 -34.34 70.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.16 -49.63 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.64 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -43.97 97.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.74 94.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 ttp -60.28 -44.55 95.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.669 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.0 mt -71.01 -29.89 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -56.24 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.68 -48.89 65.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.39 166.45 23.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.44 172.42 4.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.556 2.17 . . . . 0.0 112.239 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.0 t -58.19 -48.49 80.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.58 123.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 67.87 -69.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.27 -176.66 5.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.157 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.5 -130.79 3.51 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -165.55 -63.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.99 79.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 p -94.97 109.82 21.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.71 -46.98 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.2 m -78.3 121.65 24.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -76.36 160.16 78.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.2 95.99 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.578 2.185 . . . . 0.0 112.186 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.35 168.66 16.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.04 118.64 14.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.68 157.05 25.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.549 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.43 -37.68 77.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 61.07 42.75 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 90' ' ' THR . 0.3 OUTLIER -165.71 77.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 2.2 m 80.57 -51.32 0.33 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -61.64 -47.07 87.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.75 -176.16 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.82 159.58 14.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.0 t 63.94 136.27 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.89 -50.32 3.2 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.481 2.121 . . . . 0.0 112.333 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.3 -45.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 162.74 -71.78 0.2 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.481 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 p -154.51 107.65 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.61 -153.5 16.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.621 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -163.39 148.55 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.366 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -100.39 34.07 5.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.13 -41.81 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.5 p -98.86 127.89 33.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.774 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.05 -28.11 86.33 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.423 2.082 . . . . 0.0 112.167 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.77 157.93 43.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.853 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.8 OUTLIER -57.07 150.57 39.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.661 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.32 82.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' THR . 0.9 OUTLIER -160.8 -44.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.04 -43.32 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -59.45 -48.99 79.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.1 mp -63.23 -45.72 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 t -60.53 -45.18 94.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.25 95.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.54 -24.74 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -70.66 -46.56 63.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.019 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -37.25 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.89 -53.32 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.539 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.13 99.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.002 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -36.82 83.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 0.0 110.507 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.432 HD22 ' CG2' ' A' ' 58' ' ' VAL . 5.2 tt -66.01 -56.83 9.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -67.85 -42.22 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.453 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -66.07 -46.75 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.65 -41.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.61 -40.81 97.85 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.312 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.28 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.43 -47.11 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.01 -47.64 85.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -61.71 -35.16 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.668 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -44.34 92.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.7 tt -60.57 -45.37 94.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.04 77.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.06 -51.1 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.6 m -63.12 -37.6 87.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.723 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.97 -52.98 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -63.6 -33.58 75.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -82.46 -29.61 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -76.86 -33.23 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.82 -44.42 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -64.42 -31.48 72.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.72 -31.25 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.3 m -87.87 -45.64 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.09 139.8 29.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 23.0 tttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.98 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -94.04 -61.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 68.94 -67.02 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -102.8 -51.88 3.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.07 98.49 2.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.435 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.64 -15.5 50.38 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.545 2.164 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -57.98 144.97 37.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.63 79.88 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -148.85 29.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.7 159.73 40.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.56 26.62 13.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -141.91 -44.23 0.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 tp -60.65 -43.74 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -60.26 -33.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -81.3 -36.11 30.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.676 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.14 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.96 -49.35 78.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.746 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -30.52 47.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.86 30.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.35 -42.0 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.398 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -60.04 -51.33 70.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.11 -38.25 79.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -59.17 -40.64 86.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.609 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -40.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.419 HG23 HD12 ' A' ' 25' ' ' ILE . 39.8 mm -61.4 -36.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -52.5 10.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.51 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -56.93 -27.19 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -50.9 25.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.022 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.17 -36.45 77.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -50.24 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.785 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.02 -29.42 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 tp -73.82 -45.89 48.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.19 -44.49 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.1 -41.86 97.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -37.4 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.9 tp -67.15 -37.46 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -55.92 27.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.5 -47.73 84.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.43 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 111.068 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -80.47 -30.99 37.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -70.56 -72.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -117.84 -144.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.359 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -161.07 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.294 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.64 -29.71 63.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -50.59 73.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.306 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.42 -33.31 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.82 -50.34 73.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.399 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -66.4 -48.94 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.46 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -56.47 -40.61 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.784 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.7 -43.63 98.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.374 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -37.75 72.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 109.966 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.73 -43.7 95.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.174 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -63.78 -29.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.328 . . . . 0.0 110.687 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.46 -37.64 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.8 -47.54 45.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.403 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 9.6 t -61.04 -46.9 88.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 61' ' ' THR . 9.9 p -63.72 -38.29 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.788 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -36.94 79.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 110.325 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.81 -43.34 75.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.83 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 58' ' ' VAL . 2.4 t -69.94 -28.04 65.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' HG22 ' A' ' 61' ' ' THR . 2.9 mm? -70.39 -43.31 70.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -70.97 -31.37 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -55.97 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptm -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.35 -34.34 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.25 -43.63 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.756 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.6 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.74 -59.86 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -77.57 140.65 64.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.12 161.9 2.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.5 t -88.16 -33.44 18.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.54 -51.49 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.11 167.4 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.19 -71.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.98 -47.34 0.89 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -143.72 106.51 4.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.38 31.33 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -129.38 126.75 39.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.29 -46.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.2 m -76.47 65.71 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.428 ' CD2' ' HD2' ' A' ' 83' ' ' PRO . 0.2 OUTLIER -141.48 128.92 11.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.428 ' HD2' ' CD2' ' A' ' 82' ' ' TYR . 51.7 Cg_exo -52.95 100.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.492 2.128 . . . . 0.0 112.296 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.51 -177.6 3.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.26 -75.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.25 -91.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.83 113.89 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.31 -52.69 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.59 83.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.27 -31.15 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.2 -36.13 76.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.05 165.07 12.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.58 93.07 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -145.87 110.13 4.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.58 143.27 28.8 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.462 2.108 . . . . 0.0 112.418 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -90.27 -54.97 3.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.34 40.88 2.32 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.403 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.12 30.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.746 0.308 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.78 126.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -122.89 101.44 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.45 135.52 2.76 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.504 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 t -164.82 -47.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.2 t -58.39 109.64 1.99 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.3 -45.54 0.83 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.407 2.071 . . . . 0.0 112.311 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 pp -169.15 -177.86 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.0 t -64.04 141.98 98.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.28 88.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.512 2.142 . . . . 0.0 112.234 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 m -164.86 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.54 -42.58 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -79.22 -44.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.444 HG22 HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -61.96 -40.06 85.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.5 p -64.37 -44.08 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.41 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.29 -31.19 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -65.66 -46.6 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -67.56 -36.92 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.425 ' N ' HG22 ' A' ' 116' ' ' ILE . 57.9 t -57.94 -53.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.52 99.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.873 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.25 -31.91 71.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.008 0.432 . . . . 0.0 110.391 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.89 -55.54 12.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.539 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -37.82 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.614 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -41.37 98.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.385 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -49.66 74.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.1 t -59.48 -38.93 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.45 96.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.103 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.02 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.736 0.303 . . . . 0.0 110.711 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.44 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.6 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -63.77 -36.33 83.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.473 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.98 -45.29 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.502 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.61 -44.91 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.02 92.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.78 98.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 78.1 m -67.95 -36.24 79.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.647 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -60.53 -48.66 80.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.644 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -67.11 -32.31 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -38.82 82.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.719 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.16 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.04 -31.55 72.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.76 -31.6 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.89 -30.81 45.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.8 p -74.36 -41.88 60.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.16 -76.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 36.8 mttt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.867 -179.911 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.6 93.24 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -60.37 -31.72 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -99.46 84.77 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.51 147.21 17.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.84 103.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.581 2.187 . . . . 0.0 112.317 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.97 94.19 9.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.86 -65.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -171.25 85.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -92.69 -32.3 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m 61.86 30.29 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.07 -48.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.749 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -27.94 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.006 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.76 -34.4 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -32.52 74.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.812 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.52 72.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.16 -41.39 88.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -68.97 -30.36 46.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.58 22.86 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.01 -42.66 98.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -63.69 -47.13 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.59 -32.64 69.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.01 -46.25 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.41 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.74 -45.75 97.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -52.13 42.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.509 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.5 m -56.53 -27.3 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.229 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -69.73 -49.46 52.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.16 -39.09 85.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.789 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.1 -48.96 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.96 -32.78 73.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.26 -52.79 60.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.99 -42.46 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -39.86 95.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.785 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.82 -33.31 60.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tp -65.46 -37.61 87.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.71 -51.03 71.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.0 -44.13 69.15 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.409 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.24 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.049 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -52.41 62.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.43 -30.54 37.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 m -61.04 -76.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -137.07 -94.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.05 -34.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.698 0.285 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.78 61.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.99 70.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.276 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.97 -33.41 68.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -44.71 96.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -47.17 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -59.96 -40.57 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.77 -42.98 94.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -59.46 -51.2 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.52 -29.46 74.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -37.65 78.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.94 -34.9 64.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -74.15 -47.59 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.75 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -61.43 -46.74 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.464 ' CG2' HD21 ' A' ' 120' ' ' LEU . 9.9 p -64.34 -41.16 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.563 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -57.95 -34.0 69.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.105 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.34 -47.21 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.878 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 58' ' ' VAL . 4.2 t -66.34 -37.52 85.53 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.922 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.81 -45.97 90.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.63 98.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.26 97.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.195 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ttp -60.7 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.9 mm -61.98 -29.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.91 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.69 -30.42 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.021 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.2 -49.75 33.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.81 96.86 7.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.86 128.28 15.72 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.466 2.111 . . . . 0.0 112.308 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -178.22 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.772 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -97.86 172.17 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -106.21 163.52 12.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.93 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.42 -117.8 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.435 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -166.7 -55.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.26 169.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p -133.87 145.68 49.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 67.29 -71.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.9 m -113.1 136.7 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' N ' ' CD ' ' A' ' 83' ' ' PRO . 12.5 m-85 -82.58 -45.06 0.94 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.366 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 82' ' ' TYR . 38.9 Cg_exo -60.38 137.41 74.23 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.27 1.98 . . . . 0.0 112.172 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.4 p -159.07 131.76 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 63.38 141.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.46 72.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.58 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.13 147.13 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -112.19 44.0 1.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -106.9 -31.14 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 m -158.76 -43.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.74 -36.33 74.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.983 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.87 71.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.3 mt 61.15 50.93 4.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.4 m -146.45 135.84 11.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.87 -178.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.452 2.101 . . . . 0.0 112.257 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -109.39 157.48 18.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.806 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.43 144.25 10.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -110.95 174.75 5.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.81 -166.8 53.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.515 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -127.42 162.01 27.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -81.49 -116.73 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 82.8 p -141.33 95.61 2.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.891 0.377 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.61 153.68 0.11 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.99 -51.79 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.563 2.176 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.4 -179.23 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.3 p -63.13 154.49 77.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.79 92.49 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.625 2.217 . . . . 0.0 112.383 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.08 -42.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.9 -27.78 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.276 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -71.9 -49.17 40.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.7 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.239 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.0 m -64.06 -36.56 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.9 -51.59 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.321 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.16 -37.92 81.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.78 -46.51 75.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.238 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -37.71 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.065 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.4 t -60.57 -56.96 14.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.63 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.9 92.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.108 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.98 -33.31 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.613 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.464 HD21 ' CG2' ' A' ' 58' ' ' VAL . 5.6 tt -70.94 -57.05 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.73 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -35.29 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -53.31 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.46 -32.34 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.64 -47.32 78.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.222 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.71 71.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.349 . . . . 0.0 110.829 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.92 -49.68 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.813 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.79 -41.81 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.2 p -61.51 -38.65 88.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.69 -41.44 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.43 81.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.54 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.15 -49.78 53.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -36.62 77.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -67.23 -51.52 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -61.24 -43.47 98.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.699 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.89 97.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -61.95 -38.78 89.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.94 15.34 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.245 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -120.78 -39.24 2.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.76 69.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -33.92 37.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -85.38 -52.1 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.963 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.51 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.6 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 18' ' ' VAL . 12.5 p -69.79 -31.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.823 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.0 -27.87 43.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.476 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.26 -35.62 27.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -33.4 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.797 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 14' ' ' VAL . 39.3 t -76.32 -32.05 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -52.07 37.19 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.553 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -44.25 72.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.342 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 25' ' ' ILE . 61.0 mttm -59.44 -51.04 71.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.52 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.72 -49.1 68.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -39.12 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.118 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.45 -37.05 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.869 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 21' ' ' LYS . 15.0 mm -58.67 -51.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.54 -52.05 51.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.88 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 24' ' ' ALA . 29.9 m -56.29 -27.04 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.889 0.376 . . . . 0.0 110.503 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.779 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -70.05 -55.06 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.72 -29.38 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -50.28 47.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -68.22 -37.14 80.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -51.8 53.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -57.37 -51.29 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -36.48 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -28.29 46.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.593 HD11 HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -66.91 -54.24 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.02 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -50.93 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.68 84.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.598 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.778 ' HB1' ' HB3' ' A' ' 46' ' ' ALA . . . -74.85 -19.96 59.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.691 0.282 . . . . 0.0 111.449 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -58.69 6.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.38 -1.63 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.466 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -85.07 -76.22 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.298 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -132.71 3.86 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.617 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.822 ' HA ' HD21 ' A' ' 47' ' ' LEU . 5.8 p-10 43.62 29.9 0.31 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.488 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 -35.77 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.778 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . . . -58.69 -34.27 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.088 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.822 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -72.8 -31.64 64.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.804 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.93 -48.33 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -66.24 -41.88 89.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -41.57 97.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.715 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 131' ' ' LEU . 1.2 tp -63.2 -43.42 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.07 -51.64 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.607 ' O ' HG22 ' A' ' 57' ' ' THR . . . -69.25 -29.34 72.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.42 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -33.35 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.721 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.3 mm? -75.09 -34.83 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.02 -47.63 50.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 0.0 110.809 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.779 HG21 ' HE2' ' A' ' 28' ' ' LYS . 6.5 t -62.51 -48.1 81.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.735 HG22 HD23 ' A' ' 62' ' ' LEU . 6.1 p -59.01 -42.44 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -58.33 -39.58 79.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -60.52 -45.55 93.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.557 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.681 HG22 ' O ' ' A' ' 58' ' ' VAL . 11.9 t -71.07 -31.86 68.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.735 HD23 HG22 ' A' ' 58' ' ' VAL . 1.3 mm? -70.92 -33.92 71.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.636 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' ' 66' ' ' ILE . 51.3 tt0 -71.26 -47.92 54.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 ttp -69.75 -51.47 33.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.835 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -61.66 -35.16 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.63 -42.95 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.47 -29.69 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.884 HD21 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -80.92 -29.89 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.61 -31.61 28.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.09 -49.1 79.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.3 mp -66.55 -43.83 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.9 t -58.92 -47.4 85.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.884 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -57.44 -54.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -23.13 67.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.713 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.38 -46.76 69.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 113' ' ' ALA . 2.1 tp -69.47 -36.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 113' ' ' ALA . 53.9 t -58.61 -50.94 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.617 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.03 92.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.011 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.18 -32.67 73.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 62' ' ' LEU . 5.7 tt -69.93 -56.89 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.446 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -31.2 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -44.75 74.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.572 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -39.19 93.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.775 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 120' ' ' LEU . 46.0 t -64.42 -43.09 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.2 92.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.339 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.87 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.973 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.605 ' CD2' HD11 ' A' ' 51' ' ' LEU . 8.0 tt -66.13 -41.97 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -43.63 98.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -41.55 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.765 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 51' ' ' LEU . 5.3 tt -66.45 -45.98 77.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.85 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.72 81.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.81 -43.78 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.042 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.486 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.4 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 13' ' ' ILE . 12.1 p -59.41 -41.57 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.432 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -65.34 -30.8 71.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.49 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -58.89 -48.43 81.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.3 -33.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.48 -51.62 52.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -38.45 90.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.581 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -70.6 -37.43 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.755 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 25' ' ' ILE . 37.0 t -65.29 -35.54 81.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -48.47 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -69.77 -47.17 63.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.397 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 21' ' ' LYS . 1.7 tp -58.43 -41.08 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.379 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -66.94 -52.17 34.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.633 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 24' ' ' ALA . 9.0 p -56.72 -27.1 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.453 . . . . 0.0 110.274 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 1.045 ' HE2' HG21 ' A' ' 57' ' ' THR . 30.2 tttp -72.89 -54.91 7.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.051 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -58.73 -38.9 79.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.07 -45.72 84.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -40.2 96.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.679 HD11 HD12 ' A' ' 51' ' ' LEU . 13.1 tp -62.61 -38.9 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.614 ' HG2' HD21 ' A' ' 127' ' ' LEU . 0.9 OUTLIER -64.04 -45.42 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -38.65 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.49 -31.33 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 47' ' ' LEU . 4.8 tp -66.88 -50.29 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -49.68 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.46 -42.87 97.37 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.73 -24.6 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.742 0.306 . . . . 0.0 111.223 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -54.24 43.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.064 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.48 -33.45 36.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -70.75 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -150.18 117.55 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.779 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.831 ' HA ' HD21 ' A' ' 47' ' ' LEU . 10.8 p-10 -84.47 52.96 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.62 -45.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.35 79.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.831 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -63.96 -41.67 97.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.614 ' CE1' HD11 ' A' ' 131' ' ' LEU . 39.8 m-85 -60.3 -50.25 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.62 -42.77 86.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -60.84 -43.92 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 32' ' ' LEU . 1.9 mp -63.1 -37.44 87.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.724 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -55.01 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.688 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.77 -33.24 85.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.235 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.83 ' O ' HG22 ' A' ' 57' ' ' THR . 0.7 OUTLIER -68.28 -59.83 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.2 mm? -53.83 -36.95 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 111.158 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 1.045 HG21 ' HE2' ' A' ' 28' ' ' LYS . 4.2 t -66.83 -30.8 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -73.26 -34.82 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.472 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.46 -46.16 77.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.313 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.29 -48.08 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.171 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 58' ' ' VAL . 4.0 t -59.17 -42.61 91.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.82 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.03 HD21 HD23 ' A' ' 120' ' ' LEU . 1.9 mm? -61.21 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.362 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.98 -39.5 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.96 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.482 ' CE ' HG22 ' A' ' 117' ' ' VAL . 7.0 ttp -60.19 -49.32 78.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.7 mm -64.36 -42.1 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -41.52 93.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -37.62 64.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.625 HD11 ' CB ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -61.57 -51.23 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.677 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.795 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.88 0.371 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.59 -36.7 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.07 -47.6 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -59.89 -43.38 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 111' ' ' ILE . 4.6 m -65.23 -35.74 81.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.698 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.56 -57.28 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.19 -28.57 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -69.3 -46.54 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.796 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -71.07 -36.92 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 113' ' ' ALA . 46.8 t -58.1 -54.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.715 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.92 -41.66 99.67 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.072 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.554 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 1.03 HD23 HD21 ' A' ' 62' ' ' LEU . 12.1 tp -68.32 -52.13 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.623 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -59.3 -32.59 70.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.742 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.33 -42.43 75.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.769 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.33 -54.68 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.579 HG11 HG11 ' A' ' 58' ' ' VAL . 27.4 m -64.39 -37.12 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.06 -35.95 92.64 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.155 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.793 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -63.75 -49.72 71.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -63.26 -40.6 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.0 t -60.25 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.406 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -33.94 75.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' A' ' 48' ' ' PHE . 2.6 tm? -62.76 -44.4 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.7 88.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 67.4 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.727 179.8 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.553 0.216 . . . . 0.0 111.429 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.1 p -48.29 -27.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.405 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.75 -32.49 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -39.58 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.07 -44.55 94.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.785 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 14' ' ' VAL . 30.1 t -64.06 -34.36 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.17 -51.66 42.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.389 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.59 -39.81 94.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.621 ' O ' HD13 ' A' ' 25' ' ' ILE . 19.3 mttt -66.25 -40.96 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -62.81 -37.68 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.83 -44.33 85.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.716 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -70.58 -39.75 73.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.674 HD11 HG21 ' A' ' 61' ' ' THR . 1.4 mp -60.72 -44.53 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.27 -52.27 42.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 24' ' ' ALA . 23.8 m -56.91 -27.28 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.091 0.472 . . . . 0.0 110.125 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -69.52 -46.52 66.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.748 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.2 mm? -62.34 -36.66 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.41 -50.0 71.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.47 -29.91 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.774 HD21 HD12 ' A' ' 51' ' ' LEU . 1.1 tt -70.48 -52.25 23.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.04 -44.17 94.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.33 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -82.2 -29.79 31.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 131' ' ' LEU . 1.6 tt -66.52 -54.2 26.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.37 -39.14 82.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.12 -52.37 18.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.15 -21.55 66.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.418 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.75 7.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.281 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -80.56 -30.32 37.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -76.52 -75.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -129.56 104.98 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.402 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -66.04 -14.03 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.12 -29.7 19.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.782 0.325 . . . . 0.0 111.034 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.36 -31.29 63.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -67.42 -50.27 60.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.776 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -38.74 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 12.5 t -63.92 -45.91 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.814 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.774 HD12 HD21 ' A' ' 32' ' ' LEU . 2.3 tp -62.62 -41.2 98.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -34.36 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 110.019 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.57 -36.27 82.96 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.073 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HA ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -72.66 -29.74 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.9 mm? -72.02 -40.48 68.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.44 -47.4 60.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 54' ' ' GLU . 12.5 t -62.96 -46.79 86.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.696 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.665 ' CG2' HD21 ' A' ' 120' ' ' LEU . 6.0 p -64.91 -37.58 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -34.94 76.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.153 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -69.2 -45.24 70.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.674 HG21 HD11 ' A' ' 25' ' ' ILE . 1.3 t -64.61 -33.96 77.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.837 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.995 HD11 HD22 ' A' ' 120' ' ' LEU . 8.4 mt -76.02 -32.41 59.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.03 -36.39 82.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.378 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.55 61.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 ttp -62.04 -50.36 72.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 67' ' ' LEU . 4.6 tp -59.82 -44.71 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.598 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -63.36 -34.53 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.827 HD11 ' HB1' ' A' ' 113' ' ' ALA . 11.4 mt -74.38 -34.03 63.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.785 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.79 0.328 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.97 -28.88 32.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.44 -48.38 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 pp -55.35 -40.61 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.5 t -63.81 -34.68 78.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 0.0 110.755 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.894 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.76 -52.75 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.406 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -40.18 81.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.219 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -63.32 -46.5 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.776 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -65.25 -36.71 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.124 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.975 HG13 HD22 ' A' ' 62' ' ' LEU . 88.8 t -58.95 -52.06 65.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.726 0.298 . . . . 0.0 110.534 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.88 -46.25 92.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.852 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -36.01 82.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 110.309 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.995 HD22 HD11 ' A' ' 62' ' ' LEU . 6.7 tt -61.71 -56.98 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -32.48 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -38.9 91.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.724 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -54.88 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.13 -39.35 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.593 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.38 96.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.79 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.77 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.462 HD12 HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -59.1 -41.71 88.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.42 179.524 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.85 -48.85 67.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.598 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -44.4 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.734 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -38.07 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 51' ' ' LEU . 7.0 tt -66.12 -40.62 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.46 86.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.46 94.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.798 0.332 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 18' ' ' VAL . 13.6 p -56.85 -32.77 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -61.23 -31.76 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.61 -48.19 56.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.78 -48.67 79.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 14' ' ' VAL . 28.2 t -67.63 -30.24 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -51.68 30.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.716 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' HD13 ' A' ' 25' ' ' ILE . 36.6 mttt -69.6 -46.7 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.41 -37.79 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -41.59 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.54 74.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.496 HD13 ' O ' ' A' ' 21' ' ' LYS . 1.4 mp -60.55 -46.56 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.11 -52.03 47.99 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.597 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -56.67 -27.19 25.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 0.0 110.218 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.691 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.4 OUTLIER -68.29 -54.09 19.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.015 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.0 mm? -58.87 -31.15 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.67 -50.33 18.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -30.38 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD21 ' HG ' ' A' ' 51' ' ' LEU . 4.4 tt -72.6 -52.99 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -61.27 -42.78 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.99 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.69 -35.03 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -81.57 -28.34 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.7 tt -68.94 -39.59 79.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -52.21 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.02 -44.7 60.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.513 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -58.3 -26.46 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.209 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -56.55 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.44 -30.94 37.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -68.36 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -156.79 119.16 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.61 -23.46 67.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -31.56 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -51.16 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.0 pp -71.21 -31.94 68.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.23 -49.01 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -65.36 -47.36 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -45.47 91.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.711 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -66.82 -33.76 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -58.79 -50.24 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.644 ' O ' HG22 ' A' ' 57' ' ' THR . . . -74.74 -29.13 61.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.185 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.35 79.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.963 0.411 . . . . 0.0 110.662 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.788 HD11 HG11 ' A' ' 124' ' ' VAL . 1.3 mm? -78.16 -36.02 48.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.631 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -66.79 -44.31 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.72 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.691 HG21 ' HE2' ' A' ' 28' ' ' LYS . 8.2 t -68.13 -45.46 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.796 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.538 ' HA ' HG22 ' A' ' 61' ' ' THR . 0.3 OUTLIER -62.25 -34.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.769 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -66.67 -45.46 78.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.434 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.44 -49.28 56.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.235 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.661 HG23 HD22 ' A' ' 62' ' ' LEU . 5.2 t -56.59 -45.15 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.107 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.91 ' CD1' HG22 ' A' ' 117' ' ' VAL . 4.1 mm? -67.94 -34.41 76.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.78 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -41.2 99.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.551 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.8 -39.08 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.852 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.564 ' HG2' HD11 ' A' ' 69' ' ' LEU . 3.8 ttp -64.54 -51.4 63.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.766 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tt -59.27 -36.03 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -38.14 80.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.583 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -76.62 -26.64 55.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.987 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 65' ' ' MET . 12.6 mt -81.34 -25.01 36.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.342 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.259 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.768 0.318 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.2 -35.85 63.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -67.71 -49.17 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -66.62 -44.71 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.8 t -62.93 -32.67 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 116' ' ' ILE . . . -71.2 -39.24 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -30.58 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -71.33 -46.91 59.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.725 HD12 ' N ' ' A' ' 117' ' ' VAL . 2.5 pp -63.85 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.91 HG22 ' CD1' ' A' ' 62' ' ' LEU . 25.1 t -57.89 -55.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.861 0.363 . . . . 0.0 110.217 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.16 -27.3 59.93 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.642 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -74.82 -46.25 37.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.58 0.228 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 124' ' ' VAL . 2.7 pp -73.5 -47.75 38.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 111.031 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -59.1 -45.34 91.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.1 ttm-85 -61.09 -46.79 89.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.93 -37.35 76.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.518 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 120' ' ' LEU . 37.8 t -68.74 -37.68 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.78 -49.56 77.25 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.231 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.22 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.22 -42.78 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.772 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -39.41 93.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -47.18 87.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.61 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.741 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.572 HD12 HD22 ' A' ' 51' ' ' LEU . 1.3 tt -67.94 -45.53 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.686 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.7 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.5 64.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.775 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.6 tp . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.817 0.342 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.493 ' N ' HG23 ' A' ' 13' ' ' ILE . 10.3 p -63.12 -26.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -81.62 -32.14 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.82 86.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.81 -40.22 91.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.14 -34.55 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.71 -51.66 52.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.206 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.25 -45.45 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.367 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.2 mttm -59.38 -51.18 71.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.613 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.78 -45.03 70.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -45.1 77.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.81 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.632 HD11 HG21 ' A' ' 61' ' ' THR . 50.8 mm -59.24 -51.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.19 53.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.96 -27.06 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.094 0.473 . . . . 0.0 110.088 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.742 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -69.9 -55.07 10.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.155 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.766 ' CD1' HD12 ' A' ' 127' ' ' LEU . 4.2 mm? -59.49 -32.94 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -50.26 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -67.98 -38.63 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.706 HD23 HD13 ' A' ' 127' ' ' LEU . 17.4 tp -64.84 -39.66 93.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -33.32 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -31.33 26.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.713 ' CD1' HD12 ' A' ' 131' ' ' LEU . 10.3 tp -69.68 -39.36 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.4 mt -72.4 -51.08 21.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.71 -49.59 75.98 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.614 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -62.06 -28.9 69.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.371 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -59.26 4.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -30.21 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 m -73.7 -63.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.417 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -162.22 126.09 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.502 ' HA ' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -78.68 51.4 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.139 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.98 -45.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.25 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.602 ' HB2' HD12 ' A' ' 36' ' ' LEU . 3.4 pp -58.87 -41.52 87.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' N ' HD12 ' A' ' 47' ' ' LEU . 10.0 m-85 -65.83 -37.44 86.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -44.58 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.9 m -62.42 -44.12 97.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.845 HD22 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -63.3 -38.26 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.654 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -55.54 33.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 57' ' ' THR . . . -67.08 -28.96 73.94 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.193 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -75.22 -33.89 61.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.675 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.1 mm? -76.38 -34.94 58.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -73.88 -47.32 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.504 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.742 HG21 ' HE2' ' A' ' 28' ' ' LYS . 14.2 t -61.13 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.665 HG22 ' CD2' ' A' ' 62' ' ' LEU . 9.7 p -68.17 -34.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.399 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.62 77.39 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.48 -32.8 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.632 HG21 HD11 ' A' ' 25' ' ' ILE . 54.0 m -60.9 -45.3 95.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.476 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.665 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.8 mm? -65.46 -48.55 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.445 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.687 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -60.06 -41.15 91.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.608 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.439 ' CE ' HG22 ' A' ' 117' ' ' VAL . 0.2 OUTLIER -60.82 -38.44 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.708 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 63' ' ' GLN . 8.2 mt -71.84 -37.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.94 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -53.54 42.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -30.62 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.591 HD11 ' HB1' ' A' ' 113' ' ' ALA . 26.0 mt -74.3 -60.06 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.764 0.316 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.46 -41.24 18.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -74.78 -39.06 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.65 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -55.76 -45.59 79.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.49 ' N ' HG23 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -64.53 -32.83 74.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.05 -46.43 81.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.804 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.54 -28.89 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -66.24 -46.66 76.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.785 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -68.69 -36.78 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.984 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 113' ' ' ALA . 46.6 t -58.1 -49.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.611 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.29 90.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.975 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -35.34 78.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.486 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.458 HD23 ' C ' ' A' ' 120' ' ' LEU . 4.0 tt -62.35 -56.78 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.678 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -33.23 64.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.21 -46.2 74.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.34 -43.98 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 120' ' ' LEU . 30.6 t -62.56 -39.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.77 95.17 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.319 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.83 -38.43 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.766 HD12 ' CD1' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -70.93 -49.66 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -31.37 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.628 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.4 p -70.67 -39.34 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.559 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -33.45 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.845 HD13 HD22 ' A' ' 51' ' ' LEU . 9.1 tt -67.99 -49.0 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.03 90.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.47 82.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.779 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 15' ' ' SER . 11.0 p -63.49 -44.99 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -65.32 -31.67 72.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.15 -37.24 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.15 -45.71 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 14' ' ' VAL . 22.0 t -62.28 -41.13 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.68 -51.79 53.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -43.47 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.599 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 25' ' ' ILE . 50.4 mttm -58.48 -49.9 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.636 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.88 -49.03 69.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 mt-10 -53.95 -40.22 66.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.98 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.763 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 120' ' ' LEU . 33.5 mm -58.17 -51.4 71.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.75 -52.39 53.43 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.547 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 23' ' ' GLU . 44.7 t -57.72 -27.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.117 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.713 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -72.41 -55.02 7.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.104 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.95 -27.41 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -50.15 41.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.27 -38.75 85.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.659 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 32' ' ' LEU . 6.3 tt -65.83 -37.67 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -47.34 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -81.0 -39.81 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD22 HD21 ' A' ' 127' ' ' LEU . 46.3 tp -63.28 -47.44 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -50.82 72.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -67.65 -40.53 90.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.538 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 47' ' ' LEU . . . -73.65 -16.84 61.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.483 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -58.74 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.338 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 42' ' ' SER . 49.6 p90 -79.99 -48.96 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.392 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 5.2 p -96.71 128.26 43.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 95.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 -13.59 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -85.46 -33.43 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.43 HD12 HD11 ' A' ' 131' ' ' LEU . 2.6 pp -62.88 -35.88 81.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -58.98 -50.33 74.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.55 -44.82 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -56.05 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.021 HD22 HD13 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -62.61 -40.38 96.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.44 -37.86 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.553 ' O ' HG22 ' A' ' 57' ' ' THR . . . -70.56 -38.19 68.48 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.155 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -69.82 -29.82 67.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD11 HD23 ' A' ' 51' ' ' LEU . 5.2 mt -77.1 -34.94 56.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.308 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -70.5 -47.61 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.099 0.476 . . . . 0.0 110.507 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.713 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.2 t -63.05 -46.52 87.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.99 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.678 ' O ' HG22 ' A' ' 61' ' ' THR . 6.1 p -61.13 -44.41 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.678 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 58' ' ' VAL . 13.3 ttmt -58.14 -34.76 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -65.07 -44.42 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 58' ' ' VAL . 6.0 t -70.8 -30.21 66.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.869 HD12 HG23 ' A' ' 117' ' ' VAL . 1.1 mm? -70.22 -46.33 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.302 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' ' 66' ' ' ILE . 3.9 mm-40 -64.07 -36.21 83.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.529 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.19 92.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.437 ' HG2' HD12 ' A' ' 69' ' ' LEU . 24.6 ttp -58.73 -54.99 40.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 63' ' ' GLN . 6.3 tt -58.19 -32.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -43.46 95.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.43 -33.85 58.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 113' ' ' ALA . 1.6 mt -61.29 -38.43 86.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.875 0.369 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.33 -30.52 27.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.995 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -47.15 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 mp -64.66 -45.99 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.4 t -59.36 -51.36 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.75 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.616 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -57.4 -54.47 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -27.4 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.33 -30.78 66.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 25.2 mm -73.07 -48.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.869 HG23 HD12 ' A' ' 62' ' ' LEU . 8.4 p -59.71 -42.04 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -63.4 -58.13 12.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -39.02 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 120' ' ' LEU . 5.7 tt -60.91 -55.87 27.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -33.97 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -64.59 -40.09 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -53.42 55.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.592 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.14 -33.23 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.805 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.53 -53.47 45.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.355 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.73 85.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.51 HD11 HD22 ' A' ' 32' ' ' LEU . 1.8 tt -64.64 -44.25 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.27 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -35.29 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -65.9 -41.15 91.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.724 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.021 HD13 HD22 ' A' ' 51' ' ' LEU . 9.1 tt -64.2 -49.22 72.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.718 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.66 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.59 -55.1 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.514 HG23 ' OE1' ' A' ' 68' ' ' GLN . 13.2 p -61.02 -39.67 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -73.3 -33.27 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.53 74.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.36 -41.08 92.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 14' ' ' VAL . 23.6 t -69.8 -30.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.75 -51.68 39.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.73 -34.21 77.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' HG22 ' A' ' 25' ' ' ILE . 45.0 mttp -68.24 -30.09 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.766 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HA ' HG22 ' A' ' 25' ' ' ILE . 8.5 t -76.14 -38.44 56.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -70.15 -47.35 62.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.01 74.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 21' ' ' LYS . 4.6 tp -58.26 -39.34 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.013 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -52.56 46.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.019 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.74 -27.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 109.883 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE2' ' CB ' ' A' ' 57' ' ' THR . 39.5 tttp -70.74 -54.85 10.17 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -30.77 71.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.026 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -46.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -63.36 -43.69 96.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.885 HD13 ' HG2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -60.61 -44.9 95.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.53 -49.73 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.39 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.222 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.1 tt -73.12 -42.76 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.154 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -52.16 -50.39 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.06 -52.84 16.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.677 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.55 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.635 0.255 . . . . 0.0 111.498 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.411 ' CE ' ' O ' ' A' ' 40' ' ' MET . 7.0 tpt -51.52 -59.66 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.421 ' CE2' ' HA2' ' A' ' 38' ' ' GLY . 29.3 p90 -80.69 -30.31 36.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.247 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -70.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.221 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.02 107.1 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.885 ' HA ' HD21 ' A' ' 47' ' ' LEU . 39.2 t0 -83.26 53.27 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 -43.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.604 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -33.9 72.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.885 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -72.96 -34.85 66.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.36 -50.26 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.653 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.59 -43.22 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.1 p -63.18 -35.89 81.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.756 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -63.19 -46.01 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.626 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -57.84 -53.75 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.61 -51.35 54.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.885 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -55.82 -37.89 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.786 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.946 HD11 HG11 ' A' ' 124' ' ' VAL . 3.3 mm? -63.91 -45.71 88.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -33.03 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.438 ' CB ' ' HE2' ' A' ' 28' ' ' LYS . 87.3 m -65.64 -53.74 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.798 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.914 HG23 HD13 ' A' ' 120' ' ' LEU . 13.2 p -67.84 -34.78 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.979 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -69.84 -45.48 67.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.171 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.28 -42.67 75.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.654 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.5 t -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.888 HD21 HD12 ' A' ' 120' ' ' LEU . 17.9 mt -68.77 -35.98 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -60.72 -41.09 94.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.55 79.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.512 ' HE2' HD23 ' A' ' 62' ' ' LEU . 2.7 ttp -61.58 -47.0 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.834 ' HA ' HD12 ' A' ' 69' ' ' LEU . 19.0 mt -61.53 -46.36 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.3 -34.58 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.692 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.514 ' OE1' HG23 ' A' ' 14' ' ' VAL . 47.6 tt0 -75.83 -30.35 58.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.739 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 66' ' ' ILE . 6.0 mt -73.41 -33.06 64.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.456 ' HA ' HD11 ' A' ' 111' ' ' ILE . 18.7 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.862 0.363 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.73 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -49.05 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 108' ' ' SER . 0.8 OUTLIER -63.55 -34.66 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -66.66 -39.03 88.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.976 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.726 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -72.67 -38.83 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.459 HD22 HD13 ' A' ' 69' ' ' LEU . 4.4 mm? -78.03 -33.95 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.577 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -74.63 -37.07 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.718 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.665 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.37 -45.19 76.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.635 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.878 HG23 HD13 ' A' ' 62' ' ' LEU . 6.9 p -59.64 -47.88 89.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.88 0.371 . . . . 0.0 110.424 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.477 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -61.55 -35.59 91.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.864 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -69.02 -38.24 79.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 110.64 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.914 HD13 HG23 ' A' ' 58' ' ' VAL . 18.0 mt -59.4 -56.23 24.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.423 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.72 -40.27 75.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -60.86 -46.72 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.177 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -62.0 -38.74 89.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.946 HG11 HD11 ' A' ' 55' ' ' LEU . 44.5 t -64.8 -41.4 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.602 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.52 95.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.107 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.91 -34.2 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.1 -47.41 65.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.03 -29.51 69.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 t -66.68 -49.16 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.83 -40.87 96.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.683 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.875 HD11 HD12 ' A' ' 47' ' ' LEU . 5.1 tt -62.0 -39.46 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.623 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.63 81.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.726 179.761 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.828 0.346 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.515 HG23 ' NE2' ' A' ' 68' ' ' GLN . 11.1 p -54.29 -28.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.4 t -73.84 -30.94 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.85 75.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -70.41 -31.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.18 -51.58 13.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -36.23 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.54 -41.9 87.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.2 t -60.98 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.94 -43.85 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.96 84.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.776 HD13 HG21 ' A' ' 61' ' ' THR . 1.2 tp -59.39 -40.83 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.63 -52.08 27.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.34 -27.39 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.944 0.402 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HD2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -70.94 -53.03 16.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.964 179.68 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.89 -31.36 70.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.993 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -49.58 69.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.624 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.76 -37.57 87.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD13 ' HG2' ' A' ' 54' ' ' GLU . 14.8 tp -67.91 -44.21 77.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.92 -45.77 86.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -44.26 96.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -30.43 66.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD11 HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -66.06 -53.73 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -55.78 -53.79 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.085 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.55 -50.33 67.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -61.22 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG2' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.15 -52.49 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.44 -28.64 37.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -79.87 -66.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -122.38 -143.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.562 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -158.45 -41.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.23 -20.64 51.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.04 64.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.384 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 48' ' ' PHE . 3.5 pp -62.3 -32.64 73.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' N ' HD12 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -64.43 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.696 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -60.82 -50.94 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -37.79 76.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.767 ' HG ' HD23 ' A' ' 55' ' ' LEU . 6.4 tp -63.28 -43.36 98.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.696 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.99 -52.76 64.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.024 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.45 -36.94 93.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.556 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -71.14 -35.96 71.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.079 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.767 HD23 ' HG ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -69.12 -44.96 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.974 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.34 -43.49 98.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 0.0 110.352 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.555 HG21 ' HD2' ' A' ' 28' ' ' LYS . 58.8 m -56.78 -56.59 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.592 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.829 HG22 ' CD2' ' A' ' 62' ' ' LEU . 12.2 p -58.99 -34.73 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.61 -47.17 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.91 -33.28 74.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.178 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.776 HG21 HD13 ' A' ' 25' ' ' ILE . 21.2 m -62.86 -52.4 63.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.829 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.4 mm? -59.63 -43.06 93.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.489 ' O ' HD12 ' A' ' 67' ' ' LEU . 3.2 mt-30 -63.05 -40.22 97.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.97 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 ttp -59.63 -48.36 81.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.466 HD12 ' O ' ' A' ' 62' ' ' LEU . 8.5 mt -66.98 -42.23 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 63' ' ' GLN . 5.7 mt -63.4 -36.97 85.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.515 ' NE2' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -67.84 -50.52 56.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.642 HD11 ' HB1' ' A' ' 113' ' ' ALA . 13.8 mt -65.63 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.745 0.307 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.46 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.0 mp -65.81 -46.18 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 t -64.46 -42.61 95.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.892 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.91 -50.23 74.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.16 -28.26 66.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -46.52 75.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -69.94 -36.97 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.938 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.8 t -58.62 -53.3 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.493 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.83 99.29 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.754 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -34.81 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.391 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.647 HD13 HD11 ' A' ' 62' ' ' LEU . 3.9 tt -67.09 -57.04 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.62 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -60.63 -52.71 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.87 -41.16 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.14 87.12 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.55 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.94 -36.43 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.86 -48.54 68.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m -64.58 -32.76 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -68.11 -45.94 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.698 HD12 HD11 ' A' ' 36' ' ' LEU . 10.0 tt -62.33 -46.81 87.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.91 94.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.77 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.0 tp . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.794 0.331 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.481 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.3 p -66.58 -44.79 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.481 ' N ' HG13 ' A' ' 14' ' ' VAL . 14.8 m -63.11 -31.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.29 92.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.25 -43.73 95.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.08 -37.23 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.55 56.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.4 -34.36 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.78 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -66.14 -41.25 90.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.451 ' O ' HG22 ' A' ' 25' ' ' ILE . 49.0 t -66.1 -38.74 88.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.1 tm-20 -68.17 -40.19 82.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -74.58 -41.11 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.744 HD13 HG21 ' A' ' 61' ' ' THR . 3.5 tp -62.32 -35.34 68.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.031 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.24 -52.25 7.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.383 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 23' ' ' GLU . 16.5 m -56.7 -27.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.046 0.45 . . . . 0.0 110.207 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.577 ' HE2' HG21 ' A' ' 57' ' ' THR . 30.5 tttp -71.97 -53.47 12.93 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.738 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.59 -30.12 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -49.98 64.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.25 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.947 HD11 HD22 ' A' ' 51' ' ' LEU . 5.8 tp -68.19 -35.91 78.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.733 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.618 ' O ' HD12 ' A' ' 37' ' ' LEU . 2.9 mm-40 -66.44 -46.36 76.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.97 -33.15 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -31.74 27.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 51' ' ' LEU . 7.7 tt -71.46 -34.04 69.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -66.6 -53.27 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.79 -31.52 70.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.12 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.639 0.257 . . . . 0.0 111.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -55.57 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.23 -52.66 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 1.4 p -90.24 151.58 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.933 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.428 ' O ' ' CB ' ' A' ' 44' ' ' ASP . 8.4 m-70 64.51 -75.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 5.0 t70 82.21 -51.1 0.22 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.68 -26.59 67.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.71 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.707 ' O ' HD23 ' A' ' 51' ' ' LEU . 1.2 pp -58.85 -32.02 69.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.987 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -67.91 -50.16 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -66.98 -41.99 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.6 p -62.02 -44.61 96.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.947 HD22 HD11 ' A' ' 32' ' ' LEU . 3.7 mm? -63.47 -36.64 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -56.71 18.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.94 92.75 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.29 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.856 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.75 -39.34 80.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.626 179.691 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.1 mm? -64.72 -35.33 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -71.12 -42.0 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.577 HG21 ' HE2' ' A' ' 28' ' ' LYS . 90.0 m -59.51 -53.52 57.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.647 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.802 HG22 ' CD2' ' A' ' 62' ' ' LEU . 8.5 p -59.96 -38.08 75.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.808 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -54.39 -47.43 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.423 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.19 -29.6 67.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.453 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.744 HG21 HD13 ' A' ' 25' ' ' ILE . 47.7 m -66.63 -51.34 57.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.82 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.802 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.5 mm? -62.86 -43.74 97.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.582 ' O ' HD23 ' A' ' 67' ' ' LEU . 6.4 tt0 -61.72 -38.39 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.29 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.609 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -66.23 -39.77 89.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.4 mt -70.44 -39.68 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 63' ' ' GLN . 3.5 mm? -69.42 -39.37 77.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 65' ' ' MET . 3.4 mt -73.19 -47.83 40.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.796 0.332 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.86 -43.47 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.4 mmm-85 -60.97 -49.0 79.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.5 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -65.01 -45.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.9 t -63.22 -37.29 86.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.87 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.9 -48.2 80.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.14 -24.89 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.6 -46.39 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.81 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.22 -38.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.306 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 113' ' ' ALA . 61.8 t -58.77 -51.25 74.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.07 -43.57 98.97 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.034 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -38.05 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.495 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 62' ' ' LEU . 1.9 tt -63.92 -54.58 32.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -33.15 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.77 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -48.82 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -60.09 -48.73 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.754 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.62 -33.81 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.75 -51.37 59.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.336 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.629 ' CD1' HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -68.78 -45.7 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.56 99.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.0 m -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -65.17 -40.93 94.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.547 HD12 ' HG ' ' A' ' 51' ' ' LEU . 1.2 tt -61.89 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.39 73.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.51 -53.73 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.805 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.84 -34.05 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.2 t -69.43 -31.21 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.88 -31.18 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.55 -50.77 70.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -58.68 -30.39 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.08 -51.86 21.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -66.59 -35.11 79.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -69.01 -51.31 40.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.03 -35.94 69.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.64 -46.33 72.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.395 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.889 HD11 HG21 ' A' ' 61' ' ' THR . 27.2 mm -61.01 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.29 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.54 -52.33 40.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.675 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.86 -27.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.114 0.483 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.803 ' HE2' HG21 ' A' ' 57' ' ' THR . 54.2 tttp -74.73 -55.02 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.53 -29.23 70.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -47.67 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.641 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.42 -35.08 79.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD12 ' HG2' ' A' ' 54' ' ' GLU . 4.9 tt -66.92 -43.19 83.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -48.97 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.072 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.28 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -28.32 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 HD12 ' A' ' 131' ' ' LEU . 7.7 tt -73.08 -37.52 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.61 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 -44.3 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.8 -24.21 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -59.06 3.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -29.58 37.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -81.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.142 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.03 90.55 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.719 ' HA ' HD21 ' A' ' 47' ' ' LEU . 6.1 p-10 -64.74 -23.68 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.2 -24.36 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.337 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.91 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 111.541 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -60.41 -35.52 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.166 -179.812 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.43 -50.15 72.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -71.29 -32.27 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -47.82 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.664 HD11 ' CD2' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -63.31 -42.94 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.853 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.67 -54.6 44.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.591 ' O ' HG22 ' A' ' 57' ' ' THR . . . -68.3 -31.28 74.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.69 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.47 -30.4 57.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.728 0.299 . . . . 0.0 110.971 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 ' CG1' ' A' ' 124' ' ' VAL . 1.9 mm? -76.2 -35.12 59.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -73.0 -47.02 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 110.547 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.803 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -60.72 -49.33 77.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.873 HG22 ' CD2' ' A' ' 62' ' ' LEU . 11.7 p -60.02 -44.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 58' ' ' VAL . 6.0 mtmt -54.9 -39.76 69.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.467 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -45.02 89.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.889 HG21 HD11 ' A' ' 25' ' ' ILE . 4.3 t -67.95 -34.66 77.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.096 HD12 HG23 ' A' ' 117' ' ' VAL . 0.9 OUTLIER -62.09 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -70.05 -32.29 70.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.79 -55.02 16.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.513 ' SD ' HD13 ' A' ' 62' ' ' LEU . 8.3 ptm -58.0 -49.52 76.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.283 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.518 ' HA ' HD12 ' A' ' 69' ' ' LEU . 20.1 tt -58.68 -36.08 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.69 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -61.81 -31.79 72.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.78 HD11 ' HB1' ' A' ' 113' ' ' ALA . 10.8 mt -66.26 -45.23 81.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.857 0.361 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.36 -45.91 13.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.645 ' CZ ' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -67.75 -46.51 71.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -62.1 -44.51 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 111' ' ' ILE . 9.7 t -70.34 -36.47 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.78 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -71.93 -38.05 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HA ' HG12 ' A' ' 117' ' ' VAL . 3.7 mm? -77.38 -32.61 55.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.09 -42.18 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.697 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -70.06 -45.73 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.274 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 1.096 HG23 HD12 ' A' ' 62' ' ' LEU . 7.4 p -58.07 -45.46 88.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.706 0.289 . . . . 0.0 110.514 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.471 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -66.36 -39.4 94.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.791 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.21 -31.13 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.658 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.85 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.3 tp -64.52 -56.59 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -37.57 82.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -55.78 -48.58 75.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -33.93 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 120' ' ' LEU . 42.7 t -65.29 -45.33 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.652 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.36 -45.49 96.33 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.123 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.97 93.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.664 ' CD2' HD11 ' A' ' 51' ' ' LEU . 9.1 tt -71.16 -39.99 71.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 m -65.13 -42.44 93.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -35.61 76.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.747 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.642 HD13 HD22 ' A' ' 51' ' ' LEU . 3.1 tt -69.72 -55.09 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.79 74.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.89 -35.4 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.28 -38.51 79.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.7 m -74.76 -35.24 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.4 -41.53 94.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.9 -32.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.46 -51.86 34.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.292 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.92 -44.4 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.351 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' O ' HG12 ' A' ' 25' ' ' ILE . 24.8 mttt -57.7 -47.82 81.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.417 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.9 -46.55 71.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -58.14 -36.09 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.447 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -68.26 -35.07 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.487 HD11 HG21 ' A' ' 61' ' ' THR . 45.8 mm -62.49 -51.2 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.47 52.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.403 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.7 m -57.92 -27.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.071 0.462 . . . . 0.0 110.066 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -54.89 6.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.965 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.3 mm? -61.01 -32.41 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -49.65 60.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -66.74 -34.83 78.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD22 ' HG2' ' A' ' 54' ' ' GLU . 24.9 tp -68.17 -43.78 77.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.732 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.7 -49.78 76.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -36.75 78.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.79 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -76.67 -32.05 57.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.79 HD11 HD12 ' A' ' 131' ' ' LEU . 3.5 tp -62.77 -41.86 99.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.791 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.63 -41.94 95.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -49.91 58.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.567 ' HB1' ' N ' ' A' ' 47' ' ' LEU . . . -59.44 -34.73 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.63 85.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -80.49 -31.06 37.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -77.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -145.87 -82.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 176.0 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.06 -42.18 84.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.37 -32.93 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' N ' ' HB1' ' A' ' 39' ' ' ALA . 50.9 tp -63.41 -51.1 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -66.81 -39.25 87.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.799 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -52.24 66.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -39.56 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.777 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.973 HD13 HD13 ' A' ' 131' ' ' LEU . 5.7 tp -69.13 -37.64 78.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.77 -56.63 19.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.23 -35.69 92.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.436 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.637 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.96 -47.94 72.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.833 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.815 HD23 ' HG ' ' A' ' 51' ' ' LEU . 1.1 mm? -60.9 -34.77 75.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -66.38 -41.96 88.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.555 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.1 m -63.48 -54.48 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.807 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -56.88 -34.61 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -66.41 -38.84 88.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -69.35 -45.31 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 25' ' ' ILE . 2.0 t -64.03 -41.17 97.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.138 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 58' ' ' VAL . 2.2 mm? -65.34 -49.47 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -57.08 -40.52 77.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.66 84.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.616 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -66.32 -46.42 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.88 -39.32 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -41.04 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.738 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -34.93 62.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.833 HD11 ' HB1' ' A' ' 113' ' ' ALA . 6.3 mt -70.57 -42.64 70.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.799 0.333 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.64 -29.27 33.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -49.19 76.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -34.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.013 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -61.05 -52.87 63.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.833 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -66.12 -51.09 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.54 -49.09 78.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.85 -39.21 73.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 9.6 mm -60.6 -47.44 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.744 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 113' ' ' ALA . 16.0 t -57.78 -46.73 87.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.36 -50.31 66.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.298 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -40.55 97.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.807 HD21 ' CG2' ' A' ' 58' ' ' VAL . 3.4 tt -63.19 -52.78 60.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -34.55 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -69.41 -40.77 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -44.24 79.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.588 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.517 HG23 HD23 ' A' ' 120' ' ' LEU . 43.1 t -64.99 -40.24 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.43 91.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.176 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.56 98.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.4 tt -68.74 -40.26 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -43.79 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -35.14 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.653 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.523 ' CE ' HD23 ' A' ' 36' ' ' LEU . 32.8 ttpt -64.58 -41.83 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.973 HD13 HD13 ' A' ' 51' ' ' LEU . 9.3 tt -68.42 -38.86 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.684 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.8 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 -39.97 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 179.802 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.69 0.281 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' NE2' ' A' ' 68' ' ' GLN . 11.7 p -56.21 -34.55 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.115 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -64.92 -43.16 93.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.52 80.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -59.13 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -61.93 -30.6 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.96 -51.83 42.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.5 -48.72 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 110.455 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -50.44 73.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -53.91 -41.8 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.93 -40.51 89.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.407 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.5 -38.9 85.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.504 HD12 HD11 ' A' ' 120' ' ' LEU . 49.6 mm -59.57 -46.82 92.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.25 -52.41 44.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.581 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 24' ' ' ALA . 22.3 m -56.87 -28.57 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.139 0.495 . . . . 0.0 110.063 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.581 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.8 OUTLIER -73.97 -54.88 6.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.846 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.3 mm? -63.5 -30.04 71.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.46 -50.31 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.382 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.594 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.1 tt -70.22 -43.48 70.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.87 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.93 -36.11 83.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -79.55 -30.6 41.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.443 HD11 HD12 ' A' ' 131' ' ' LEU . 3.1 tp -66.24 -56.36 11.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.27 -58.04 10.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -63.09 -22.05 66.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.696 0.284 . . . . 0.0 111.235 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.446 ' CE ' ' O ' ' A' ' 40' ' ' MET . 6.8 tpt -60.33 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.62 -30.49 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -70.92 -75.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -114.8 -143.34 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.438 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.44 -43.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.12 -22.96 51.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.945 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -50.92 69.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.269 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.675 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 4.4 pp -66.32 -38.92 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.796 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.639 ' N ' HD12 ' A' ' 47' ' ' LEU . 35.6 t80 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.795 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.33 -48.1 81.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.737 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -58.91 -37.22 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.764 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.887 ' HG ' HD13 ' A' ' 131' ' ' LEU . 1.2 mm? -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -49.74 76.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.94 92.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.166 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' CG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -71.21 -31.93 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.75 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 51' ' ' LEU . 1.9 mm? -69.83 -40.32 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.19 -36.4 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.581 HG21 ' HE2' ' A' ' 28' ' ' LYS . 78.2 m -65.27 -53.41 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.653 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.5 p -60.04 -34.9 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.02 0.438 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -63.7 -43.0 97.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.772 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.44 -49.66 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 58' ' ' VAL . 4.9 t -60.79 -30.87 70.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.951 HD21 HD22 ' A' ' 120' ' ' LEU . 1.2 mm? -71.22 -42.99 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.521 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.3 tt0 -63.12 -33.24 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.64 -44.96 61.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.779 ' CE ' HG22 ' A' ' 117' ' ' VAL . 6.8 ttp -60.5 -42.57 96.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mt -69.57 -40.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -66.89 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -76.53 -32.81 58.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.727 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -76.06 -49.76 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.778 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.5 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.06 -54.19 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -59.59 -45.84 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -64.82 -44.89 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.473 ' N ' HG23 ' A' ' 111' ' ' ILE . 24.0 t -66.95 -34.19 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.766 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.875 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -68.99 -50.88 45.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -28.55 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -70.33 -46.55 63.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -67.54 -37.92 79.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.4 t -59.53 -53.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.59 99.61 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.084 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.68 -33.83 74.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.675 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.951 HD22 HD21 ' A' ' 62' ' ' LEU . 6.9 tt -61.02 -56.82 16.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -31.71 72.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -57.93 -45.33 86.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.314 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.25 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 120' ' ' LEU . 42.7 t -64.47 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.686 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.6 62.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.072 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.11 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.84 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.03 -46.61 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.684 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -49.21 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.6 p -64.53 -39.23 93.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -39.83 94.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.782 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.887 HD13 ' HG ' ' A' ' 51' ' ' LEU . 1.3 tt -63.09 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.26 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.99 -44.46 69.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.7 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.876 0.37 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 13' ' ' ILE . 12.3 p -63.54 -33.82 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -70.61 -31.24 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.62 -47.0 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 t -69.21 -33.08 56.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.98 -51.71 43.26 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.47 -34.03 77.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.903 0.382 . . . . 0.0 110.821 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' ILE . 12.4 mttt -75.07 -37.29 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.7 t -63.93 -40.11 95.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 27' ' ' VAL . 34.8 mt-10 -71.02 -51.87 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.32 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.562 HG12 HD21 ' A' ' 120' ' ' LEU . 1.3 tp -58.14 -38.67 69.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.19 -52.25 53.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.869 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.511 HG12 ' CE1' ' A' ' 31' ' ' HIS . 39.5 t -58.58 -27.39 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.188 0.518 . . . . 0.0 109.763 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE2' HG21 ' A' ' 57' ' ' THR . 3.4 tmtm? -62.99 -55.11 28.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.069 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.66 -34.34 74.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.39 -50.2 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' HG12 ' A' ' 27' ' ' VAL . 24.8 m80 -62.5 -32.02 72.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.572 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD11 ' CB ' ' A' ' 54' ' ' GLU . 1.6 mt -60.05 -52.68 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.64 -37.39 86.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -31.52 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -47.74 84.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.22 -39.86 94.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -69.76 -50.43 30.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.683 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' CB ' ' HB3' ' A' ' 47' ' ' LEU . . . -71.84 -13.84 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.502 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -53.83 50.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 42' ' ' SER . 23.5 p90 -80.49 -41.82 23.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.437 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 68.9 p -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.85 102.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -83.79 -19.19 35.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.349 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -82.84 -32.64 27.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.847 0.356 . . . . 0.0 110.773 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 3.1 pp -61.95 -33.04 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.696 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -58.99 -50.25 74.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -67.49 -49.43 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.435 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -52.72 -47.12 67.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.584 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 127' ' ' LEU . 2.7 mm? -62.84 -35.93 81.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.296 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -56.31 -41.17 75.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.939 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.2 -39.98 71.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.04 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.533 ' CB ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -59.95 -40.71 89.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 0.0 110.643 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -72.42 -34.73 68.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.904 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -64.77 -34.12 77.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.434 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -79.47 -42.19 25.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 25' ' ' ILE . 6.2 p -66.83 -34.63 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.427 . . . . 0.0 110.607 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -73.43 -43.28 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.32 -41.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.754 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 58' ' ' VAL . 7.1 t -64.96 -44.2 90.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' A' ' 120' ' ' LEU . 13.4 mt -62.94 -35.43 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.1 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.182 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.77 97.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.578 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 69' ' ' LEU . 4.3 ttp -59.78 -52.51 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.762 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.708 ' HA ' HD12 ' A' ' 69' ' ' LEU . 6.5 mt -58.86 -30.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 tp -70.72 -33.33 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -37.26 56.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 66' ' ' ILE . 1.6 mt -73.77 -28.1 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.7 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.886 0.374 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.39 -34.88 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.03 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -60.77 -48.94 79.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.0 mp -62.74 -44.85 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.6 t -65.61 -42.94 91.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.575 ' O ' HG12 ' A' ' 117' ' ' VAL . . . -66.7 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.38 -28.09 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.38 -46.57 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.661 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.53 -46.57 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.708 HG23 HD13 ' A' ' 62' ' ' LEU . 7.6 p -60.86 -43.96 96.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.444 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -65.96 -39.69 95.0 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.621 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.55 -36.34 80.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.925 0.393 . . . . 0.0 110.256 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.828 ' HB3' HD11 ' A' ' 62' ' ' LEU . 7.2 tp -60.3 -50.4 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.489 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -60.11 -40.87 91.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -47.09 87.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 120' ' ' LEU . 38.3 t -69.46 -34.06 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.71 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.76 -39.86 98.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.192 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.77 63.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 110.788 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 51' ' ' LEU . 7.6 tt -67.92 -49.31 62.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.719 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -34.58 78.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.7 m -60.12 -51.14 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -68.05 -30.54 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.491 HD13 ' HG ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -60.07 -55.31 35.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.67 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.14 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.996 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.4 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.466 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.9 p -58.91 -36.79 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -75.37 -31.87 60.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -33.74 74.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.59 -32.76 70.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.15 -35.62 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.79 54.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.268 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -67.37 -46.71 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.4 . . . . 0.0 110.485 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' O ' HG12 ' A' ' 25' ' ' ILE . 33.5 mttt -57.4 -51.29 70.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.576 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.97 -43.48 69.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.38 -34.93 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.373 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -73.0 -38.95 66.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.947 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 21' ' ' LYS . 39.4 mm -61.46 -35.34 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -52.07 6.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 24' ' ' ALA . 23.8 m -56.51 -27.26 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.403 . . . . 0.0 110.321 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.8 ' HE2' HG21 ' A' ' 57' ' ' THR . 11.6 tttp -74.86 -53.85 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.844 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.09 -35.62 71.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -50.12 53.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.759 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.68 -45.32 93.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.742 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.728 HD13 ' HG2' ' A' ' 54' ' ' GLU . 3.7 tp -63.63 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.58 -50.96 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.76 -35.85 79.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -31.67 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD2' HD22 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -65.49 -46.72 78.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -53.19 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.23 95.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.32 -17.87 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.65 0.262 . . . . 0.0 111.397 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.62 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.76 -58.07 9.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -79.89 -37.73 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -93.31 100.32 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t60 59.96 106.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -80.27 -26.52 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.55 -33.23 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.011 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.27 71.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 40' ' ' MET . 14.0 mt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -69.45 -47.15 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -62.1 -46.72 87.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -46.61 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 131' ' ' LEU . 1.1 mp -66.71 -33.66 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.741 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -52.61 64.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.598 ' O ' HG22 ' A' ' 57' ' ' THR . . . -71.37 -30.24 67.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.384 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.728 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -74.64 -32.87 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.7 mm? -76.92 -34.94 57.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -69.52 -47.34 64.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.8 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.7 t -63.94 -48.93 74.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.735 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.5 p -59.44 -34.79 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.774 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -36.33 80.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.193 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.54 98.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.653 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 58' ' ' VAL . 14.4 t -71.61 -31.34 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.518 HD21 HD22 ' A' ' 120' ' ' LEU . 0.9 OUTLIER -67.67 -43.89 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.712 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' A' ' 66' ' ' ILE . 2.1 mm-40 -71.44 -35.38 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.94 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.537 ' HG2' HD11 ' A' ' 69' ' ' LEU . 5.3 ttp -69.1 -51.26 40.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 62' ' ' LEU . 4.5 tt -58.6 -34.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.32 -38.16 71.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -73.82 -31.55 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.577 HD11 ' HB1' ' A' ' 113' ' ' ALA . 6.1 mt -78.83 -53.97 6.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.775 0.322 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.77 -29.96 36.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -67.26 -49.16 65.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -60.66 -34.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.73 -42.37 86.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.687 ' O ' HG13 ' A' ' 117' ' ' VAL . . . -72.74 -37.33 67.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.298 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.407 ' HA ' HG22 ' A' ' 117' ' ' VAL . 4.3 mm? -78.64 -33.49 47.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -74.2 -37.62 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -71.98 -44.78 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.819 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 113' ' ' ALA . 29.7 m -60.17 -45.72 95.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.869 0.366 . . . . 0.0 110.336 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.482 ' N ' HG23 ' A' ' 117' ' ' VAL . . . -61.11 -41.38 99.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.554 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -33.24 73.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.117 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' A' ' 58' ' ' VAL . 4.8 tt -62.47 -56.83 14.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.478 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -56.42 -40.43 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -58.79 -43.11 90.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -39.65 88.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.553 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 120' ' ' LEU . 26.2 t -62.97 -43.71 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.86 -49.44 78.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.288 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.85 85.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 tt -70.1 -42.34 72.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.665 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -42.61 97.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.1 m -63.9 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.701 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.1 -41.67 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.73 HD13 HD22 ' A' ' 51' ' ' LEU . 7.5 tt -65.54 -47.6 75.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.722 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.43 80.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.644 179.836 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.5 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.807 0.337 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.448 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.6 p -63.19 -40.28 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.072 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -73.33 -30.94 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.26 -37.33 57.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.0 -45.55 86.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.6 -29.32 30.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.58 41.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.631 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.21 -34.06 70.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.933 0.397 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' O ' HG22 ' A' ' 25' ' ' ILE . 17.7 mttm -68.4 -48.5 64.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.466 ' HA ' HG22 ' A' ' 25' ' ' ILE . 48.7 t -64.96 -37.09 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.16 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -69.96 -51.94 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.388 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.08 -47.91 72.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.795 HD13 HG21 ' A' ' 61' ' ' THR . 1.3 tp -58.18 -36.95 59.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.14 -52.24 46.12 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.062 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 23' ' ' GLU . 56.8 t -57.43 -27.22 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.08 0.467 . . . . 0.0 109.978 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.821 ' HE2' HG21 ' A' ' 57' ' ' THR . 19.0 tttp -69.2 -54.86 12.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.052 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.92 -42.36 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.855 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -45.95 92.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.81 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.812 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.764 HD12 ' HG2' ' A' ' 54' ' ' GLU . 9.0 tt -63.42 -46.11 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.21 -40.63 90.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.06 87.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.05 -35.02 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.559 ' CD1' HD11 ' A' ' 51' ' ' LEU . 3.4 tt -60.08 -40.72 90.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -57.04 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.24 68.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.57 67.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.349 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -59.13 5.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.818 0.342 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.11 -26.6 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -58.13 -54.21 49.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 -36.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.483 ' HA ' HD21 ' A' ' 47' ' ' LEU . 15.7 t70 76.91 15.51 1.92 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.104 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -114.82 -42.38 3.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 110.369 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.76 83.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.772 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.0 pp -68.22 -32.85 73.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.446 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.645 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -51.78 66.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.627 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.964 HD22 HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -66.6 -40.67 88.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.569 179.629 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.17 84.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . . . -69.98 -30.15 70.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.241 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.764 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.96 -31.74 61.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.789 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.2 mm? -77.12 -34.9 56.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.86 -46.1 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.821 HG21 ' HE2' ' A' ' 28' ' ' LYS . 3.7 t -63.83 -51.1 66.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.599 HG23 HD21 ' A' ' 120' ' ' LEU . 11.7 p -57.69 -39.93 72.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' 58' ' ' VAL . 38.6 mttt -63.87 -39.64 94.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.432 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -38.13 77.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.983 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.795 HG21 HD13 ' A' ' 25' ' ' ILE . 1.4 t -71.56 -30.64 66.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.799 0.333 . . . . 0.0 110.968 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.642 HD22 HG13 ' A' ' 117' ' ' VAL . 24.2 mt -78.11 -34.28 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -36.3 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.432 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.12 65.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.693 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' LEU . 3.4 ttp -59.69 -51.06 71.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.816 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -39.13 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.1 -31.5 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -33.83 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -70.64 -56.98 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.784 0.326 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.37 -42.66 20.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.435 ' HG2' HD23 ' A' ' 69' ' ' LEU . 74.8 mtt180 -76.82 -42.22 41.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -60.41 -43.04 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 111' ' ' ILE . 52.0 p -63.77 -39.42 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -59.67 -52.62 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.33 -25.36 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.725 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.02 -46.58 70.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.748 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -68.65 -36.68 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.738 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 113' ' ' ALA . 43.4 t -59.03 -48.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.627 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.1 96.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.934 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.93 83.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 124' ' ' VAL . 8.5 tp -61.73 -53.47 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -35.89 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -65.38 -52.7 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.548 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -59.93 -44.6 94.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.453 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 120' ' ' LEU . 32.8 t -66.41 -34.79 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.768 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.16 48.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.302 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.16 93.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.674 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 127' ' ' LEU . 1.1 tm? -69.58 -33.55 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.58 ' OE2' HG12 ' A' ' 124' ' ' VAL . 3.8 mt-10 -70.64 -45.05 65.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -44.36 95.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -39.76 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.964 HD12 HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -61.87 -45.06 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.05 89.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.74 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.833 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 15' ' ' SER . 10.5 p -62.9 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' HG13 ' A' ' 14' ' ' VAL . 58.4 p -76.01 -36.99 58.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.82 89.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.64 -33.49 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.674 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 t -69.65 -37.07 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.79 47.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.377 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.17 -48.04 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.599 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.4 mttm -60.0 -49.55 77.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.574 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.0 t -53.87 -39.81 66.0 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -47.74 85.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.71 -35.42 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.976 HD11 HG21 ' A' ' 61' ' ' THR . 25.9 mm -62.6 -42.83 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.28 31.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.367 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 24' ' ' ALA . 26.2 m -56.98 -27.44 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.09 0.471 . . . . 0.0 110.18 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HE2' HG21 ' A' ' 57' ' ' THR . 13.1 tttp -72.36 -55.02 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.022 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.21 -29.39 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.26 -50.31 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.326 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -66.7 -31.01 71.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.676 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.5 tt -66.45 -41.41 89.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.18 -42.43 79.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.94 -31.97 73.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -83.78 -38.54 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 127' ' ' LEU . 6.5 tt -59.12 -47.94 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -45.22 93.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.11 -49.35 34.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.579 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -59.91 -21.41 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.436 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -59.32 5.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 42' ' ' SER . 7.5 p90 -80.61 -29.65 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 28.2 t -73.74 -76.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.056 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.54 113.96 6.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HA ' HD21 ' A' ' 47' ' ' LEU . 3.1 m-20 -65.37 -18.57 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.207 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.95 -33.1 65.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.01 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.1 pp -64.05 -34.92 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.608 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -60.46 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.792 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.64 -51.15 68.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.9 m -59.35 -40.34 86.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.055 HD13 HD11 ' A' ' 131' ' ' LEU . 0.8 OUTLIER -63.8 -38.44 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.69 -56.38 22.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.07 82.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.112 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.98 93.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.713 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.708 HD11 ' CG1' ' A' ' 124' ' ' VAL . 1.2 mm? -67.06 -43.39 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.803 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -63.88 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.55 HG21 ' HE2' ' A' ' 28' ' ' LYS . 45.9 m -68.63 -56.95 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.645 HG22 HD23 ' A' ' 62' ' ' LEU . 6.2 p -62.88 -36.48 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -62.07 -38.84 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.271 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.88 -45.51 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.673 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.976 HG21 HD11 ' A' ' 25' ' ' ILE . 3.7 t -69.85 -27.26 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.713 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.9 ' CD2' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -66.01 -47.98 72.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 179.48 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -65.79 -38.89 90.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.574 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.412 ' CE ' HG22 ' A' ' 117' ' ' VAL . 4.8 ttp -59.94 -49.6 77.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.3 pt -68.35 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 67' ' ' LEU . 7.7 tt -66.97 -41.33 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -39.91 68.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.779 HD11 ' HB1' ' A' ' 113' ' ' ALA . 83.6 mt -66.21 -57.07 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.24 -28.28 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.24 14.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 1.1 pp -64.74 -38.52 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 t -62.75 -40.32 96.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.945 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.92 -50.89 20.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.484 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.58 HD22 HD13 ' A' ' 69' ' ' LEU . 3.3 mm? -66.1 -38.31 87.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.282 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 111' ' ' ILE . 18.9 t-20 -65.61 -46.43 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.125 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -63.29 -36.89 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.24 . . . . 0.0 110.787 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 113' ' ' ALA . 58.2 t -60.24 -52.15 64.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.0 86.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.998 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -76.78 -29.11 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.9 HD23 ' CD2' ' A' ' 62' ' ' LEU . 6.9 tp -67.56 -52.38 39.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.946 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.531 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 3.9 ptm180 -55.74 -45.49 77.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.93 0.395 . . . . 0.0 110.022 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.11 96.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.702 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 120' ' ' LEU . 57.3 t -64.88 -35.99 76.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.493 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.03 -50.22 67.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.038 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -40.56 86.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.558 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 36' ' ' LEU . 8.5 tp -69.53 -36.66 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -50.26 70.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.602 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -38.82 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.558 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -63.43 -34.36 77.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.055 HD11 HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.03 -45.82 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.95 91.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.984 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.656 179.786 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.0 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.342 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.492 ' N ' HG23 ' A' ' 13' ' ' ILE . 12.7 p -65.81 -38.71 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 m -68.44 -31.81 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.59 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.65 -37.36 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.95 -34.72 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.18 -51.73 41.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.294 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.22 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.314 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 25' ' ' ILE . 51.6 mttt -58.41 -51.28 70.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -53.84 -46.29 71.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -55.69 -39.75 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.331 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -66.33 -37.2 84.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.902 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.612 HD12 HD11 ' A' ' 120' ' ' LEU . 47.5 mm -59.51 -48.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.722 ' O ' HD12 ' A' ' 30' ' ' LEU . . . -62.53 -52.38 49.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.509 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.41 HG22 ' HA ' ' A' ' 24' ' ' ALA . 27.3 m -58.05 -27.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 57' ' ' THR . 1.5 tptp -74.8 -53.91 8.29 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.989 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.2 mm? -57.81 -30.38 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -71.98 -50.29 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.438 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.28 69.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 127' ' ' LEU . 3.1 tt -70.11 -47.65 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.38 -49.55 77.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.68 -35.96 79.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.751 ' HG ' HD11 ' A' ' 47' ' ' LEU . 4.7 tt -65.0 -49.57 69.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.82 -41.07 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.98 -50.8 27.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.71 -16.93 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.601 0.239 . . . . 0.0 111.512 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.515 ' HE3' ' O ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -58.39 -59.17 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.666 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -50.4 12.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -73.1 86.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 61.15 113.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -73.89 -25.66 60.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.38 -43.19 71.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.85 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HG ' ' A' ' 36' ' ' LEU . 12.8 tp -61.91 -49.85 74.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.764 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -62.43 -45.65 92.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -59.79 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -58.18 -49.81 75.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.946 HD13 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -65.43 -30.55 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -56.53 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.733 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -32.9 65.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.289 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.413 ' CG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -62.81 -45.54 92.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.675 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 55' ' ' LEU . 3.4 mm? -72.76 -34.66 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.814 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.96 -47.33 78.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.759 HG21 ' HE2' ' A' ' 28' ' ' LYS . 12.7 t -70.29 -33.87 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.161 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.745 ' CG2' HD21 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -72.27 -34.62 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.723 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -71.7 -34.42 69.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.038 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.61 -42.81 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 58' ' ' VAL . 12.1 t -68.87 -36.77 78.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 117' ' ' VAL . 0.9 OUTLIER -64.43 -52.21 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 66' ' ' ILE . 40.8 mt-30 -58.84 -47.24 85.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.689 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.93 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.521 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.4 ttm -67.05 -48.92 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 63' ' ' GLN . 5.0 mt -64.62 -39.03 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -63.05 -45.93 89.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.796 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -32.19 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.636 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.909 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -62.05 -45.57 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.778 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.82 59.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -49.0 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.44 -43.73 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.5 t -58.9 -51.51 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.909 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -56.7 -56.27 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -70.94 -30.63 66.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 29.8 mm -74.17 -48.42 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.86 HG23 HD12 ' A' ' 62' ' ' LEU . 8.3 p -60.25 -42.39 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.041 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.421 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -65.78 -47.73 73.24 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.341 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -35.14 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 124' ' ' VAL . 4.4 tt -67.63 -52.19 41.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.758 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.01 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -60.21 -51.91 67.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -40.47 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 120' ' ' LEU . 24.7 t -67.7 -35.83 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.29 99.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.14 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.66 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 32' ' ' LEU . 6.8 tt -69.46 -49.8 51.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.6 t -69.8 -35.32 74.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.383 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -67.73 -41.58 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.946 HD13 HD13 ' A' ' 51' ' ' LEU . 1.2 tt -60.96 -51.16 70.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.2 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.987 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 13' ' ' ILE . 7.5 tp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.048 0.451 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -112.54 -31.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -66.71 -32.7 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.56 ' CB ' HD11 ' A' ' 13' ' ' ILE . . . -66.41 -40.99 89.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.41 -44.56 92.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -69.03 -30.85 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.19 -51.68 26.58 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.414 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -68.0 -46.33 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.359 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 25' ' ' ILE . 10.3 mttt -57.6 -51.32 70.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -54.66 -44.23 73.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.7 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.41 -36.51 84.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.463 HD12 HD11 ' A' ' 120' ' ' LEU . 43.5 mm -59.35 -50.78 78.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.17 -52.11 54.75 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.534 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.4 ' HA ' HD12 ' A' ' 30' ' ' LEU . 59.3 t -56.63 -27.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.052 0.454 . . . . 0.0 110.208 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.774 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.5 OUTLIER -69.75 -54.93 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.13 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.4 mm? -58.37 -30.89 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 27' ' ' VAL . 7.4 mt -70.0 -50.24 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -36.76 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.676 HD12 ' HG2' ' A' ' 54' ' ' GLU . 6.4 tt -65.06 -49.51 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.81 -37.12 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.53 -41.87 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -81.18 -30.42 34.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD13 HD21 ' A' ' 127' ' ' LEU . 4.1 tt -66.41 -40.36 89.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -51.95 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.5 -44.42 97.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.61 -19.74 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.396 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -56.31 17.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.179 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.27 -52.71 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.3 m -90.63 117.52 29.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 57.32 101.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -92.39 47.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -130.66 -44.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -32.92 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 131' ' ' LEU . 4.2 pp -67.31 -39.7 85.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.527 ' N ' HD12 ' A' ' 47' ' ' LEU . 39.6 m-85 -64.45 -45.39 87.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.694 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -49.75 75.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.9 t -58.81 -37.97 77.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.748 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 47' ' ' LEU . 2.6 mm? -64.06 -42.79 96.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -58.43 -45.93 87.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.646 ' O ' HG22 ' A' ' 57' ' ' THR . . . -68.33 -29.37 73.12 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.29 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.676 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -78.12 -32.46 50.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.935 0.398 . . . . 0.0 110.723 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.1 mm? -75.8 -34.93 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -73.26 -47.45 42.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.774 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.2 t -60.03 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.634 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.629 ' O ' HG22 ' A' ' 61' ' ' THR . 9.2 p -60.83 -39.84 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.642 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.067 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.51 -43.19 77.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.609 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 58' ' ' VAL . 5.3 t -71.17 -34.34 70.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 120' ' ' LEU . 2.9 mm? -63.16 -49.63 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.64 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -43.97 97.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.74 94.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.523 ' CE ' HG22 ' A' ' 117' ' ' VAL . 3.1 ttp -60.28 -44.55 95.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.669 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.0 mt -71.01 -29.89 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -56.24 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD11 ' HB1' ' A' ' 113' ' ' ALA . 12.1 mt -67.68 -48.89 65.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.878 0.37 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.04 -43.32 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -59.45 -48.99 79.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -63.23 -45.72 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 t -60.53 -45.18 94.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.873 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.47 -45.25 95.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.54 -24.74 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -70.66 -46.56 63.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.019 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.831 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -69.58 -37.25 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.1 t -59.89 -53.32 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.539 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.13 99.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.002 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -36.82 83.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 0.0 110.507 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 62' ' ' LEU . 5.2 tt -66.01 -56.83 9.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -67.85 -42.22 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.453 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -66.07 -46.75 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.428 HG23 HD23 ' A' ' 120' ' ' LEU . 38.5 t -58.65 -41.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.61 -40.81 97.85 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.312 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.28 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 32' ' ' LEU . 5.8 tt -68.43 -47.11 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.01 -47.64 85.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -61.71 -35.16 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.668 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -44.34 92.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.604 HD11 HD13 ' A' ' 47' ' ' LEU . 4.7 tt -60.57 -45.37 94.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.04 77.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.06 -51.1 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.723 179.902 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.2 tp . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.809 0.337 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.462 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.5 p -60.26 -33.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -81.3 -36.11 30.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.676 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.14 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.96 -49.35 78.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.746 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -30.52 47.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.86 30.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.35 -42.0 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.398 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -60.04 -51.33 70.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.11 -38.25 79.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -59.17 -40.64 86.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.609 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -40.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 120' ' ' LEU . 39.8 mm -61.4 -36.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -52.5 10.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.51 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -56.93 -27.19 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.683 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -71.93 -50.9 25.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.022 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.1 mm? -60.17 -36.45 77.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -50.24 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.785 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.02 -29.42 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.757 HD13 ' HG3' ' A' ' 54' ' ' GLU . 40.9 tp -73.82 -45.89 48.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.19 -44.49 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.1 -41.86 97.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -37.4 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 HD13 ' A' ' 47' ' ' LEU . 28.9 tp -67.15 -37.46 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -55.92 27.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.5 -47.73 84.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.43 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 111.068 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -80.47 -30.99 37.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -70.56 -72.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -117.84 -144.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.359 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -161.07 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.294 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.64 -29.71 63.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -50.59 73.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.306 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.804 HD13 HD11 ' A' ' 36' ' ' LEU . 2.1 pp -66.42 -33.31 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.82 -50.34 73.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.399 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -66.4 -48.94 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -56.47 -40.61 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.784 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.981 HD11 HD21 ' A' ' 127' ' ' LEU . 1.8 mm? -62.7 -43.63 98.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.374 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -37.75 72.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 109.966 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.73 -43.7 95.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.174 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.757 ' HG3' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -63.78 -29.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.328 . . . . 0.0 110.687 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.4 mm? -73.46 -37.64 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.8 -47.54 45.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.683 HG21 ' HE2' ' A' ' 28' ' ' LYS . 9.6 t -61.04 -46.9 88.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG22 HD23 ' A' ' 62' ' ' LEU . 9.9 p -63.72 -38.29 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.788 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -36.94 79.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 110.325 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.81 -43.34 75.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.83 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.676 HG21 HD11 ' A' ' 25' ' ' ILE . 2.4 t -69.94 -28.04 65.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.678 HD23 HG22 ' A' ' 58' ' ' VAL . 2.9 mm? -70.39 -43.31 70.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -70.97 -31.37 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -55.97 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptm -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.963 HD11 HG11 ' A' ' 117' ' ' VAL . 29.0 mm -65.35 -34.34 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.25 -43.63 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.756 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.6 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.795 HD11 ' HB1' ' A' ' 113' ' ' ALA . 4.0 mt -69.74 -59.86 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.455 ' CA ' HG22 ' A' ' 111' ' ' ILE . 1.4 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.54 -42.58 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.481 ' HD2' HD23 ' A' ' 69' ' ' LEU . 26.3 mmt85 -79.22 -44.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.76 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -61.96 -40.06 85.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.5 p -64.37 -44.08 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.896 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.3 -46.41 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 69' ' ' LEU . 3.7 mm? -68.29 -31.19 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -65.66 -46.6 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -67.56 -36.92 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.963 HG11 HD11 ' A' ' 66' ' ' ILE . 57.9 t -57.94 -53.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.52 99.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.873 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.25 -31.91 71.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.008 0.432 . . . . 0.0 110.391 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 25' ' ' ILE . 6.1 tt -67.89 -55.54 12.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.539 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -37.82 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.614 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -41.37 98.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.385 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -49.66 74.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.1 t -59.48 -38.93 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.45 96.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.103 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.02 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.736 0.303 . . . . 0.0 110.711 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.981 HD21 HD11 ' A' ' 51' ' ' LEU . 8.1 tt -63.44 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.6 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -63.77 -36.33 83.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.473 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.98 -45.29 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.502 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.49 HD12 ' HG ' ' A' ' 51' ' ' LEU . 2.5 tt -61.61 -44.91 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.02 92.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.78 98.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.647 179.759 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.781 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.81 0.338 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.76 -34.4 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -32.52 74.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.812 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.52 72.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.16 -41.39 88.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -68.97 -30.36 46.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.58 22.86 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.01 -42.66 98.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HD13 ' A' ' 25' ' ' ILE . 71.0 mttt -63.69 -47.13 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.813 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.59 -32.64 69.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.01 -46.25 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -69.18 -38.41 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.479 HD11 HG21 ' A' ' 61' ' ' THR . 1.4 mp -60.74 -45.75 97.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -52.13 42.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.509 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 24' ' ' ALA . 24.5 m -56.53 -27.3 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.229 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.71 ' HE2' HG21 ' A' ' 57' ' ' THR . 16.1 tttp -69.73 -49.46 52.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.85 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.16 -39.09 85.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.789 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.1 -48.96 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.96 -32.78 73.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.553 HD12 HD21 ' A' ' 127' ' ' LEU . 2.9 tm? -63.26 -52.79 60.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.99 -42.46 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -39.86 95.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.785 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.82 -33.31 60.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 131' ' ' LEU . 1.5 tp -65.46 -37.61 87.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.71 -51.03 71.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.0 -44.13 69.15 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.409 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -59.65 -29.24 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -52.41 62.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.43 -30.54 37.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 m -61.04 -76.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -137.07 -94.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.05 -34.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.698 0.285 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.78 61.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.99 70.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.276 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 2.1 pp -71.97 -33.41 68.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -44.71 96.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -69.8 -47.17 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -59.96 -40.57 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.851 HD22 HD13 ' A' ' 131' ' ' LEU . 10.8 tp -64.77 -42.98 94.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -59.46 -51.2 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . . . -63.52 -29.46 74.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.505 ' HG2' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.01 -37.65 78.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 110.928 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.6 mm? -73.94 -34.9 64.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -74.15 -47.59 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.75 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.71 HG21 ' HE2' ' A' ' 28' ' ' LYS . 10.1 t -61.43 -46.74 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 61' ' ' THR . 9.9 p -64.34 -41.16 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.563 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 58' ' ' VAL . 28.2 mttm -57.95 -34.0 69.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.105 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.34 -47.21 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.878 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 58' ' ' VAL . 4.2 t -66.34 -37.52 85.53 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.922 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 120' ' ' LEU . 3.0 mm? -62.81 -45.97 90.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.63 98.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.26 97.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.195 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.65 ' CE ' HG22 ' A' ' 117' ' ' VAL . 9.1 ttp -60.7 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.9 mm -61.98 -29.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.91 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.69 -30.42 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.021 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.842 HD11 ' HB1' ' A' ' 113' ' ' ALA . 13.8 mt -72.2 -49.75 33.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.9 -27.78 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.276 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -71.9 -49.17 40.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.7 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.239 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.0 m -64.06 -36.56 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.9 -51.59 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.321 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.16 -37.92 81.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.78 -46.51 75.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.238 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.789 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -63.9 -37.71 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.065 -179.773 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 113' ' ' ALA . 88.4 t -60.57 -56.96 14.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.63 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.9 92.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.108 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.98 -33.31 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.613 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 62' ' ' LEU . 5.6 tt -70.94 -57.05 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.73 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -35.29 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -53.31 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.46 -32.34 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.64 -47.32 78.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.222 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.71 71.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.349 . . . . 0.0 110.829 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 127' ' ' LEU . 2.7 tm? -63.92 -49.68 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.813 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.79 -41.81 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.2 p -61.51 -38.65 88.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.851 HD13 HD22 ' A' ' 51' ' ' LEU . 7.9 tt -60.69 -41.44 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.43 81.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.54 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.19 97.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.751 0.31 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.26 -31.52 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -111.37 -67.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.82 98.16 2.43 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.417 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.21 -15.58 46.48 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.521 2.148 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -111.81 171.37 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -131.15 -57.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -120.33 -57.21 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' HB3' HG11 ' A' ' 14' ' ' VAL . 75.4 m-20 -131.91 128.23 38.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -162.48 -53.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -39.32 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.51 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.6 tp -61.06 -45.66 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 18' ' ' VAL . 12.5 p -69.79 -31.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.823 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.0 -27.87 43.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.476 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.26 -35.62 27.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -33.4 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.797 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 14' ' ' VAL . 39.3 t -76.32 -32.05 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -52.07 37.19 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.553 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -44.25 72.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.342 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 25' ' ' ILE . 61.0 mttm -59.44 -51.04 71.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.52 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.72 -49.1 68.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -39.12 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.118 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.45 -37.05 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.869 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 21' ' ' LYS . 15.0 mm -58.67 -51.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.54 -52.05 51.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.88 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 24' ' ' ALA . 29.9 m -56.29 -27.04 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.889 0.376 . . . . 0.0 110.503 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.779 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -70.05 -55.06 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.72 -29.38 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -50.28 47.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -68.22 -37.14 80.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -51.8 53.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -57.37 -51.29 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -36.48 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -28.29 46.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.593 HD11 HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -66.91 -54.24 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.02 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -50.93 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.68 84.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.598 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.778 ' HB1' ' HB3' ' A' ' 46' ' ' ALA . . . -74.85 -19.96 59.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.691 0.282 . . . . 0.0 111.449 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -58.69 6.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.38 -1.63 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.466 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -85.07 -76.22 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.298 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -132.71 3.86 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.617 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.822 ' HA ' HD21 ' A' ' 47' ' ' LEU . 5.8 p-10 43.62 29.9 0.31 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.488 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 -35.77 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.778 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . . . -58.69 -34.27 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.088 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.822 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -72.8 -31.64 64.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.804 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.93 -48.33 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -66.24 -41.88 89.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -41.57 97.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.715 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 131' ' ' LEU . 1.2 tp -63.2 -43.42 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.07 -51.64 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.607 ' O ' HG22 ' A' ' 57' ' ' THR . . . -69.25 -29.34 72.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.42 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -33.35 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.721 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.3 mm? -75.09 -34.83 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.02 -47.63 50.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 0.0 110.809 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.779 HG21 ' HE2' ' A' ' 28' ' ' LYS . 6.5 t -62.51 -48.1 81.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.735 HG22 HD23 ' A' ' 62' ' ' LEU . 6.1 p -59.01 -42.44 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -58.33 -39.58 79.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -60.52 -45.55 93.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.557 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.681 HG22 ' O ' ' A' ' 58' ' ' VAL . 11.9 t -71.07 -31.86 68.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.735 HD23 HG22 ' A' ' 58' ' ' VAL . 1.3 mm? -70.92 -33.92 71.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.636 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' ' 66' ' ' ILE . 51.3 tt0 -71.26 -47.92 54.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 ttp -69.75 -51.47 33.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.835 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -61.66 -35.16 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.63 -42.95 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.47 -29.69 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.884 HD21 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -80.92 -29.89 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.84 96.36 24.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -51.21 138.86 44.89 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.5 2.133 . . . . 0.0 112.328 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.84 32.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.63 127.82 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.63 165.97 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.28 -68.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.33 144.47 15.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.68 166.56 20.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.93 30.94 20.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 t -127.96 83.06 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -164.67 92.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 t -128.88 -49.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -125.64 133.02 24.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.17 121.31 6.43 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.496 2.131 . . . . 0.0 112.305 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 t -122.74 135.48 54.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.54 139.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.23 -53.94 36.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.545 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.11 112.53 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.744 0.307 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -44.92 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -157.25 63.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.46 -34.73 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.2 -31.29 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.58 167.55 21.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -30.51 69.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 94' ' ' VAL . 23.0 m -94.86 102.67 9.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.33 102.15 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.42 2.08 . . . . 0.0 112.302 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.2 125.02 50.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.7 -147.32 16.36 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 m -147.83 145.35 28.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.75 152.88 5.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 60.11 31.21 20.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.96 158.7 9.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.424 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.1 p -86.82 -41.21 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.43 107.39 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.405 ' HG2' ' HG3' ' A' ' 110' ' ' ARG . 62.3 Cg_endo -73.46 -45.0 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.4 2.067 . . . . 0.0 112.345 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.665 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 0.6 OUTLIER -178.51 -177.7 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.497 ' O ' HD12 ' A' ' 105' ' ' LEU . 1.7 t -57.06 147.65 54.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.28 81.44 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.533 2.155 . . . . 0.0 112.254 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.85 -53.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.665 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . . . -82.61 -31.61 28.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.405 ' HG3' ' HG2' ' A' ' 104' ' ' PRO . 0.5 OUTLIER -59.09 -49.1 79.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.3 mp -66.55 -43.83 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.9 t -58.92 -47.4 85.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.884 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -57.44 -54.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -23.13 67.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.713 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.38 -46.76 69.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 113' ' ' ALA . 2.1 tp -69.47 -36.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 113' ' ' ALA . 53.9 t -58.61 -50.94 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.617 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.03 92.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.011 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.18 -32.67 73.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 62' ' ' LEU . 5.7 tt -69.93 -56.89 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.446 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -31.2 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -44.75 74.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.572 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -39.19 93.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.775 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 120' ' ' LEU . 46.0 t -64.42 -43.09 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.2 92.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.339 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.87 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.973 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.605 ' CD2' HD11 ' A' ' 51' ' ' LEU . 8.0 tt -66.13 -41.97 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -43.63 98.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -41.55 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.765 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 51' ' ' LEU . 5.3 tt -66.45 -45.98 77.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.85 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.72 81.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.81 -43.78 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.042 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -43.46 93.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.3 -46.3 90.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.758 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.79 -35.52 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -39.67 84.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -81.11 -30.82 34.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -74.88 -30.76 61.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.33 22.72 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -112.65 -34.22 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.804 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.63 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 98.9 p -75.29 -50.95 14.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? 68.09 -69.72 0.14 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -105.07 103.51 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.72 -30.08 68.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' HD3' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -155.56 115.62 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.92 148.11 16.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.2 -32.97 95.07 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.553 2.168 . . . . 0.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.6 t90 -108.31 115.17 29.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' A' ' 4' ' ' PHE . 8.5 ptmt 179.52 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.023 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -131.16 20.18 4.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.264 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.42 99.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.809 0.338 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.1 t -123.72 -46.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -34.48 23.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.486 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.4 tp -68.95 -45.11 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 13' ' ' ILE . 12.1 p -59.41 -41.57 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.432 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -65.34 -30.8 71.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.49 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -58.89 -48.43 81.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.3 -33.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.48 -51.62 52.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -38.45 90.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.581 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -70.6 -37.43 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.755 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 25' ' ' ILE . 37.0 t -65.29 -35.54 81.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -48.47 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -69.77 -47.17 63.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.397 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 21' ' ' LYS . 1.7 tp -58.43 -41.08 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.379 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -66.94 -52.17 34.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.633 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 24' ' ' ALA . 9.0 p -56.72 -27.1 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.453 . . . . 0.0 110.274 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 1.045 ' HE2' HG21 ' A' ' 57' ' ' THR . 30.2 tttp -72.89 -54.91 7.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.051 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -58.73 -38.9 79.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.07 -45.72 84.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -40.2 96.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.679 HD11 HD12 ' A' ' 51' ' ' LEU . 13.1 tp -62.61 -38.9 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.614 ' HG2' HD21 ' A' ' 127' ' ' LEU . 0.9 OUTLIER -64.04 -45.42 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -38.65 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.49 -31.33 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 47' ' ' LEU . 4.8 tp -66.88 -50.29 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -49.68 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.46 -42.87 97.37 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.73 -24.6 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.742 0.306 . . . . 0.0 111.223 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -54.24 43.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.064 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.48 -33.45 36.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -70.75 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -150.18 117.55 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.779 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.831 ' HA ' HD21 ' A' ' 47' ' ' LEU . 10.8 p-10 -84.47 52.96 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.62 -45.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.35 79.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.831 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -63.96 -41.67 97.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.614 ' CE1' HD11 ' A' ' 131' ' ' LEU . 39.8 m-85 -60.3 -50.25 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.62 -42.77 86.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -60.84 -43.92 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 32' ' ' LEU . 1.9 mp -63.1 -37.44 87.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.724 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -55.01 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.688 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.77 -33.24 85.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.235 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.83 ' O ' HG22 ' A' ' 57' ' ' THR . 0.7 OUTLIER -68.28 -59.83 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.2 mm? -53.83 -36.95 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 111.158 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 1.045 HG21 ' HE2' ' A' ' 28' ' ' LYS . 4.2 t -66.83 -30.8 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -73.26 -34.82 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.472 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.46 -46.16 77.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.313 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.29 -48.08 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.171 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 58' ' ' VAL . 4.0 t -59.17 -42.61 91.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.82 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.03 HD21 HD23 ' A' ' 120' ' ' LEU . 1.9 mm? -61.21 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.362 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.98 -39.5 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.96 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.482 ' CE ' HG22 ' A' ' 117' ' ' VAL . 7.0 ttp -60.19 -49.32 78.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.7 mm -64.36 -42.1 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -41.52 93.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -37.62 64.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.625 HD11 ' CB ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -61.57 -51.23 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.677 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.99 91.43 2.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.795 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.41 122.94 10.49 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.45 2.1 . . . . 0.0 112.376 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.3 p -138.02 30.2 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt 59.65 175.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.89 -56.09 1.47 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.17 68.29 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.3 36.92 0.3 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.78 172.17 13.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.89 31.08 20.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.8 m -71.43 -50.73 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.18 139.29 58.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.2 m -88.03 -51.88 5.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -165.77 83.14 1.05 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 117.87 5.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.528 2.152 . . . . 0.0 112.27 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.1 t -126.49 92.96 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -155.99 -179.02 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.61 33.92 5.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.32 138.88 37.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.06 -175.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -96.08 40.29 1.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 p -87.36 -31.28 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -33.53 75.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.04 -66.16 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.2 158.64 22.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t 64.19 134.91 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.56 149.78 30.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.429 2.086 . . . . 0.0 112.286 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -96.18 159.23 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.13 172.95 37.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.56 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 t 60.87 107.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.3 39.18 2.85 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.74 148.22 48.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.63 -82.76 0.29 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.09 104.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 113.78 26.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.786 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.36 -43.77 54.58 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.361 2.041 . . . . 0.0 112.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 109' ' ' ALA . 1.6 pp -156.25 171.02 20.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -59.54 164.77 4.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 47.3 Cg_endo -68.59 63.35 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.631 2.22 . . . . 0.0 112.284 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.3 t -127.96 -48.95 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.658 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -81.59 -36.7 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.07 -47.6 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -59.89 -43.38 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 111' ' ' ILE . 4.6 m -65.23 -35.74 81.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.698 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.56 -57.28 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.19 -28.57 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -69.3 -46.54 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.796 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -71.07 -36.92 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 113' ' ' ALA . 46.8 t -58.1 -54.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.715 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.92 -41.66 99.67 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.072 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.554 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 1.03 HD23 HD21 ' A' ' 62' ' ' LEU . 12.1 tp -68.32 -52.13 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.623 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -59.3 -32.59 70.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.742 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.33 -42.43 75.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.769 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.33 -54.68 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.579 HG11 HG11 ' A' ' 58' ' ' VAL . 27.4 m -64.39 -37.12 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.06 -35.95 92.64 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.155 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.793 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -63.75 -49.72 71.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -63.26 -40.6 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.0 t -60.25 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.406 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -33.94 75.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' A' ' 48' ' ' PHE . 2.6 tm? -62.76 -44.4 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.7 88.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 67.4 m -66.98 -31.53 72.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.727 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -59.71 -54.84 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.726 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -65.53 -33.11 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -45.0 94.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -77.07 -38.78 51.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -62.75 -42.95 99.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.35 -31.16 62.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -66.97 -34.8 78.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.49 -30.47 61.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 p -79.39 -40.14 30.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.29 -76.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.777 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.903 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.53 91.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.75 -36.48 76.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -78.82 -28.76 44.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.86 134.56 4.01 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -77.55 57.06 5.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.53 2.154 . . . . 0.0 112.516 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.3 m95 53.92 -176.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.63 20.55 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -178.53 -71.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.772 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.08 52.1 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 m -131.33 -66.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -24.33 61.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.99 -15.56 17.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.429 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.1 p -48.29 -27.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.405 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.75 -32.49 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -39.58 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.07 -44.55 94.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.785 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 14' ' ' VAL . 30.1 t -64.06 -34.36 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.17 -51.66 42.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.389 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.59 -39.81 94.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.621 ' O ' HD13 ' A' ' 25' ' ' ILE . 19.3 mttt -66.25 -40.96 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -62.81 -37.68 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.83 -44.33 85.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.716 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -70.58 -39.75 73.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.674 HD11 HG21 ' A' ' 61' ' ' THR . 1.4 mp -60.72 -44.53 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.27 -52.27 42.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 24' ' ' ALA . 23.8 m -56.91 -27.28 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.091 0.472 . . . . 0.0 110.125 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -69.52 -46.52 66.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.748 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.2 mm? -62.34 -36.66 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.41 -50.0 71.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.47 -29.91 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.774 HD21 HD12 ' A' ' 51' ' ' LEU . 1.1 tt -70.48 -52.25 23.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.04 -44.17 94.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.33 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -82.2 -29.79 31.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 131' ' ' LEU . 1.6 tt -66.52 -54.2 26.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.37 -39.14 82.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.12 -52.37 18.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.15 -21.55 66.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.418 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.75 7.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.281 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -80.56 -30.32 37.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -76.52 -75.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -129.56 104.98 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.402 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -66.04 -14.03 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.12 -29.7 19.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.782 0.325 . . . . 0.0 111.034 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.36 -31.29 63.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD1' ' NH1' ' A' ' 135' ' ' ARG . 34.6 t80 -67.42 -50.27 60.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.776 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -38.74 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 12.5 t -63.92 -45.91 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.814 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.774 HD12 HD21 ' A' ' 32' ' ' LEU . 2.3 tp -62.62 -41.2 98.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -34.36 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 110.019 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.57 -36.27 82.96 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.073 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HA ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -72.66 -29.74 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.9 mm? -72.02 -40.48 68.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.44 -47.4 60.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 54' ' ' GLU . 12.5 t -62.96 -46.79 86.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.696 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.665 ' CG2' HD21 ' A' ' 120' ' ' LEU . 6.0 p -64.91 -37.58 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -34.94 76.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.153 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -69.2 -45.24 70.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.674 HG21 HD11 ' A' ' 25' ' ' ILE . 1.3 t -64.61 -33.96 77.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.837 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.995 HD11 HD22 ' A' ' 120' ' ' LEU . 8.4 mt -76.02 -32.41 59.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.03 -36.39 82.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.378 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.55 61.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 ttp -62.04 -50.36 72.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 67' ' ' LEU . 4.6 tp -59.82 -44.71 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.598 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -63.36 -34.53 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.827 HD11 ' HB1' ' A' ' 113' ' ' ALA . 11.4 mt -74.38 -34.03 63.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -85.97 162.6 46.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.785 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.4 170.91 12.55 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.591 2.194 . . . . 0.0 112.269 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.63 -47.46 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.794 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.62 103.09 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.01 119.07 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.21 138.39 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.47 29.83 6.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -142.75 -175.05 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.31 42.33 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.4 t -97.2 39.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.77 -31.99 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.11 -35.51 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 60.57 89.61 0.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -51.28 160.26 2.37 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.583 2.188 . . . . 0.0 112.25 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 m -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.46 143.43 49.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.61 -49.45 78.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.36 119.3 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 89' ' ' GLU . 4.1 pt20 -141.3 165.74 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 4.3 tt0 81.08 -51.19 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 t -100.33 -33.63 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -46.9 40.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.45 -175.18 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.049 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.1 mp -96.09 -38.38 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.7 t -106.06 121.4 45.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.15 165.77 30.32 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.423 2.082 . . . . 0.0 112.29 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -78.76 170.73 16.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.27 34.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.87 171.9 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 172.04 124.0 0.74 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.407 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.19 154.53 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.56 -106.0 3.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.9 m 61.24 102.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.409 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -60.93 111.0 3.46 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -51.79 -28.55 30.87 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.473 2.115 . . . . 0.0 112.287 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.584 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 0.8 OUTLIER -167.02 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.404 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 8.4 p -82.27 165.52 42.16 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 39.5 Cg_exo -60.42 82.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.767 2.311 . . . . 0.0 112.231 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -157.36 -44.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.584 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . . . -81.97 -28.88 32.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.44 -48.38 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 pp -55.35 -40.61 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.5 t -63.81 -34.68 78.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 0.0 110.755 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.894 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.76 -52.75 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.406 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -40.18 81.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.219 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -63.32 -46.5 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.776 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -65.25 -36.71 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.124 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.975 HG13 HD22 ' A' ' 62' ' ' LEU . 88.8 t -58.95 -52.06 65.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.726 0.298 . . . . 0.0 110.534 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.88 -46.25 92.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.852 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -36.01 82.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 110.309 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.995 HD22 HD11 ' A' ' 62' ' ' LEU . 6.7 tt -61.71 -56.98 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -32.48 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -38.9 91.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.724 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -54.88 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.13 -39.35 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.593 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.38 96.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.79 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.77 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.462 HD12 HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -59.1 -41.71 88.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.42 179.524 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.85 -48.85 67.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.598 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -44.4 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.734 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -38.07 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 51' ' ' LEU . 7.0 tt -66.12 -40.62 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.46 86.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.46 94.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.93 -39.06 87.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.448 ' NH1' ' CD1' ' A' ' 48' ' ' PHE . 6.0 mtp180 -60.53 -52.18 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.662 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -65.62 -36.62 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.84 -41.84 92.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -78.67 -30.75 46.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.02 -32.7 61.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.31 -36.58 61.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -60.03 -31.56 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.3 79.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.1 m -99.95 34.27 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.41 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.53 77.67 1.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 1.8 tp10 -87.29 -26.61 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 17.3 p90 43.68 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.427 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.69 169.18 16.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.552 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.34 62.63 2.75 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.603 2.202 . . . . 0.0 112.26 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -157.22 87.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.64 19.39 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.44 -31.29 5.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t0 64.49 96.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.655 ' O ' HG12 ' A' ' 14' ' ' VAL . 5.3 p -150.25 -50.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -90.81 -41.35 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tp -61.41 -29.56 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 11' ' ' SER . 13.6 p -56.85 -32.77 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -61.23 -31.76 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.61 -48.19 56.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.78 -48.67 79.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 14' ' ' VAL . 28.2 t -67.63 -30.24 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -51.68 30.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.716 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' HD13 ' A' ' 25' ' ' ILE . 36.6 mttt -69.6 -46.7 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.41 -37.79 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -41.59 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.54 74.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.496 HD13 ' O ' ' A' ' 21' ' ' LYS . 1.4 mp -60.55 -46.56 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.11 -52.03 47.99 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.597 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -56.67 -27.19 25.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 0.0 110.218 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.691 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.4 OUTLIER -68.29 -54.09 19.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.015 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.0 mm? -58.87 -31.15 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.67 -50.33 18.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -30.38 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD21 ' HG ' ' A' ' 51' ' ' LEU . 4.4 tt -72.6 -52.99 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -61.27 -42.78 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.99 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.69 -35.03 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -81.57 -28.34 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.7 tt -68.94 -39.59 79.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -52.21 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.02 -44.7 60.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.513 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -58.3 -26.46 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.209 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -56.55 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.44 -30.94 37.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -68.36 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -156.79 119.16 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.61 -23.46 67.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -31.56 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -51.16 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.0 pp -71.21 -31.94 68.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.23 -49.01 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -65.36 -47.36 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -45.47 91.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.711 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -66.82 -33.76 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -58.79 -50.24 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.644 ' O ' HG22 ' A' ' 57' ' ' THR . . . -74.74 -29.13 61.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.185 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.35 79.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.963 0.411 . . . . 0.0 110.662 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.788 HD11 HG11 ' A' ' 124' ' ' VAL . 1.3 mm? -78.16 -36.02 48.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.631 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -66.79 -44.31 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.72 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.691 HG21 ' HE2' ' A' ' 28' ' ' LYS . 8.2 t -68.13 -45.46 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.796 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.538 ' HA ' HG22 ' A' ' 61' ' ' THR . 0.3 OUTLIER -62.25 -34.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.769 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -66.67 -45.46 78.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.434 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.44 -49.28 56.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.235 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.661 HG23 HD22 ' A' ' 62' ' ' LEU . 5.2 t -56.59 -45.15 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.107 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.91 ' CD1' HG22 ' A' ' 117' ' ' VAL . 4.1 mm? -67.94 -34.41 76.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.78 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -41.2 99.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.551 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.8 -39.08 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.852 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.564 ' HG2' HD11 ' A' ' 69' ' ' LEU . 3.8 ttp -64.54 -51.4 63.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.766 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tt -59.27 -36.03 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -38.14 80.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.583 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -76.62 -26.64 55.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.987 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 65' ' ' MET . 12.6 mt -81.34 -25.01 36.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.342 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.482 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -53.33 -55.2 36.86 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.259 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 70' ' ' GLN . 22.7 Cg_exo -64.32 73.27 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.537 2.158 . . . . 0.0 112.162 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 110' ' ' ARG . 61.5 p -146.17 39.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.6 125.58 54.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 142.43 53.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.81 82.09 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.94 86.32 1.39 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.552 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -163.05 135.82 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.75 -45.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.2 p -58.83 -63.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.44 111.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.0 t -130.12 -51.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -146.08 99.14 4.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.73 144.84 61.12 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.491 2.127 . . . . 0.0 112.252 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.1 m -112.29 -41.58 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.18 175.1 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.0 104.68 2.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . . . -77.74 -39.43 44.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.77 36.83 19.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 90' ' ' THR . 2.1 mt-10 -112.35 -76.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -167.42 -51.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 pm0 -60.94 -30.95 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . . . -96.81 -77.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.78 154.23 50.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.76 144.53 93.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.99 160.79 5.59 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.561 2.174 . . . . 0.0 112.288 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? 59.08 170.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.66 124.96 8.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.55 -175.5 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -130.55 83.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -156.45 171.33 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.53 128.26 3.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -175.45 101.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m 60.86 111.19 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.572 ' HB2' HD23 ' A' ' 105' ' ' LEU . 23.9 Cg_endo -62.58 -58.48 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.331 2.021 . . . . 0.0 112.311 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 109' ' ' ALA . 2.0 pt? -158.91 172.39 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.9 165.07 8.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.73 91.07 1.01 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.616 2.21 . . . . 0.0 112.349 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t -159.63 -45.04 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.797 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -74.2 -35.85 63.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.5 ' HD3' HG21 ' A' ' 72' ' ' THR . 5.5 mmm-85 -67.71 -49.17 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -66.62 -44.71 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.8 t -62.93 -32.67 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 116' ' ' ILE . . . -71.2 -39.24 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -30.58 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -71.33 -46.91 59.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.725 HD12 ' N ' ' A' ' 117' ' ' VAL . 2.5 pp -63.85 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.91 HG22 ' CD1' ' A' ' 62' ' ' LEU . 25.1 t -57.89 -55.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.861 0.363 . . . . 0.0 110.217 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.16 -27.3 59.93 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.642 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -74.82 -46.25 37.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.58 0.228 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 124' ' ' VAL . 2.7 pp -73.5 -47.75 38.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 111.031 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -59.1 -45.34 91.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.1 ttm-85 -61.09 -46.79 89.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.93 -37.35 76.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.518 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 120' ' ' LEU . 37.8 t -68.74 -37.68 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.78 -49.56 77.25 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.231 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.22 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.22 -42.78 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.772 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -39.41 93.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -47.18 87.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.61 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.741 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.572 HD12 HD22 ' A' ' 51' ' ' LEU . 1.3 tt -67.94 -45.53 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.686 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.7 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.5 64.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.12 -46.79 55.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.775 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -68.2 -32.21 72.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -67.13 -47.27 71.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.74 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -63.01 -40.32 97.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.97 73.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -32.03 64.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -50.44 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.83 -34.63 77.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.94 73.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -46.51 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.79 111.54 23.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 4' ' ' PHE . 25.3 m -163.94 -61.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 68.12 20.08 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 5' ' ' GLY . 11.8 p90 -134.23 -40.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.045 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . 75.81 -117.56 5.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.564 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.72 72.07 2.55 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.421 2.081 . . . . 0.0 112.293 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -85.18 123.45 30.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.788 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -76.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -150.12 -67.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -176.52 37.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.777 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.5 20.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.64 -31.58 6.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.6 tp -60.74 -45.01 98.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.493 ' N ' HG23 ' A' ' 13' ' ' ILE . 10.3 p -63.12 -26.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -81.62 -32.14 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.82 86.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.81 -40.22 91.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.14 -34.55 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.71 -51.66 52.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.206 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.25 -45.45 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.367 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.2 mttm -59.38 -51.18 71.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.613 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.78 -45.03 70.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -45.1 77.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.81 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.632 HD11 HG21 ' A' ' 61' ' ' THR . 50.8 mm -59.24 -51.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.19 53.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.96 -27.06 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.094 0.473 . . . . 0.0 110.088 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.742 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -69.9 -55.07 10.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.155 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.766 ' CD1' HD12 ' A' ' 127' ' ' LEU . 4.2 mm? -59.49 -32.94 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -50.26 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -67.98 -38.63 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.706 HD23 HD13 ' A' ' 127' ' ' LEU . 17.4 tp -64.84 -39.66 93.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -33.32 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -31.33 26.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.713 ' CD1' HD12 ' A' ' 131' ' ' LEU . 10.3 tp -69.68 -39.36 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.4 mt -72.4 -51.08 21.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.71 -49.59 75.98 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.614 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -62.06 -28.9 69.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.371 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -59.26 4.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -30.21 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 m -73.7 -63.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.417 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -162.22 126.09 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.502 ' HA ' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -78.68 51.4 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.139 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.98 -45.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.25 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.602 ' HB2' HD12 ' A' ' 36' ' ' LEU . 3.4 pp -58.87 -41.52 87.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' N ' HD12 ' A' ' 47' ' ' LEU . 10.0 m-85 -65.83 -37.44 86.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -44.58 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.9 m -62.42 -44.12 97.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.845 HD22 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -63.3 -38.26 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.654 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -55.54 33.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 57' ' ' THR . . . -67.08 -28.96 73.94 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.193 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -75.22 -33.89 61.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.675 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.1 mm? -76.38 -34.94 58.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -73.88 -47.32 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.504 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.742 HG21 ' HE2' ' A' ' 28' ' ' LYS . 14.2 t -61.13 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.665 HG22 ' CD2' ' A' ' 62' ' ' LEU . 9.7 p -68.17 -34.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.399 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.62 77.39 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.48 -32.8 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.632 HG21 HD11 ' A' ' 25' ' ' ILE . 54.0 m -60.9 -45.3 95.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.476 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.665 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.8 mm? -65.46 -48.55 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.445 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.687 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -60.06 -41.15 91.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.608 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.439 ' CE ' HG22 ' A' ' 117' ' ' VAL . 0.2 OUTLIER -60.82 -38.44 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.708 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 63' ' ' GLN . 8.2 mt -71.84 -37.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.94 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -53.54 42.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -30.62 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.591 HD11 ' HB1' ' A' ' 113' ' ' ALA . 26.0 mt -74.3 -60.06 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.25 146.08 97.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.89 149.1 27.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.526 2.151 . . . . 0.0 112.367 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.96 -31.13 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -114.32 89.08 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.56 -35.72 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 61.22 112.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.0 -118.5 5.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 60.65 97.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.71 -43.61 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -148.97 114.69 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.84 178.54 6.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 p -124.69 156.41 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -99.84 149.27 35.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.41 154.23 11.91 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.509 2.139 . . . . 0.0 112.351 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 p -151.69 126.1 9.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.12 -51.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.04 -78.0 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.538 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.29 147.31 30.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.069 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -165.93 89.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -165.68 -64.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 t -103.16 -34.56 8.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.93 -46.32 45.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.773 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.45 132.24 51.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.06 156.38 33.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.793 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.582 ' O ' HG13 ' A' ' 94' ' ' VAL . 7.1 p 31.72 83.83 0.19 Allowed Pre-proline 0 N--CA 1.467 0.422 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.129 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.97 115.05 3.6 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.514 2.143 . . . . 0.0 112.23 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 95.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.89 62.21 4.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -90.35 176.06 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.98 135.08 2.27 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -103.77 -63.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.95 -69.95 2.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 102' ' ' THR . 9.8 t -161.77 99.81 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.09 132.85 11.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.72 -39.41 83.64 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.504 2.136 . . . . 0.0 112.304 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 1.054 HD11 ' HB3' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -164.66 -176.86 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.665 ' O ' HD12 ' A' ' 105' ' ' LEU . 68.6 p -70.46 163.99 58.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.054 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.31 80.15 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.832 2.355 . . . . 0.0 112.206 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.1 m -151.38 -49.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.717 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.054 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -83.46 -41.24 18.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -74.78 -39.06 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.65 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -55.76 -45.59 79.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.49 ' N ' HG23 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -64.53 -32.83 74.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.05 -46.43 81.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.804 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.54 -28.89 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -66.24 -46.66 76.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.785 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -68.69 -36.78 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.984 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 113' ' ' ALA . 46.6 t -58.1 -49.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.611 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.29 90.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.975 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -35.34 78.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.486 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.458 HD23 ' C ' ' A' ' 120' ' ' LEU . 4.0 tt -62.35 -56.78 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.678 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -33.23 64.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.21 -46.2 74.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.34 -43.98 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 120' ' ' LEU . 30.6 t -62.56 -39.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.77 95.17 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.319 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.83 -38.43 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.766 HD12 ' CD1' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -70.93 -49.66 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -31.37 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.628 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.4 p -70.67 -39.34 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.559 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -33.45 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.845 HD13 HD22 ' A' ' 51' ' ' LEU . 9.1 tt -67.99 -49.0 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.03 90.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.47 82.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.93 -38.85 87.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.779 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -62.89 -45.08 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -37.25 83.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.53 -40.29 96.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.84 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -67.24 -55.58 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.6 -30.08 69.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -61.8 -48.39 80.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.27 -24.72 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.344 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 26.5 m -66.25 -14.14 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.432 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -51.07 -30.19 15.14 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 111.238 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.14 94.32 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.1 -40.47 86.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -100.25 -67.22 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.71 -86.01 0.41 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.16 -61.67 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.566 2.177 . . . . 0.0 112.351 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -132.22 84.23 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -52.78 15.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -165.02 -59.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.3 31.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 36.3 t -121.6 144.92 48.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.413 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.1 OUTLIER 81.8 -22.76 0.24 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.645 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -91.33 -36.03 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 15' ' ' SER . 11.0 p -63.49 -44.99 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -65.32 -31.67 72.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.15 -37.24 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.15 -45.71 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 14' ' ' VAL . 22.0 t -62.28 -41.13 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.68 -51.79 53.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -43.47 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.599 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 25' ' ' ILE . 50.4 mttm -58.48 -49.9 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.636 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.88 -49.03 69.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 mt-10 -53.95 -40.22 66.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.98 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.763 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 120' ' ' LEU . 33.5 mm -58.17 -51.4 71.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.75 -52.39 53.43 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.547 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 23' ' ' GLU . 44.7 t -57.72 -27.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.117 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.713 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -72.41 -55.02 7.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.104 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.95 -27.41 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -50.15 41.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.27 -38.75 85.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.659 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 32' ' ' LEU . 6.3 tt -65.83 -37.67 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -47.34 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -81.0 -39.81 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD22 HD21 ' A' ' 127' ' ' LEU . 46.3 tp -63.28 -47.44 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -50.82 72.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -67.65 -40.53 90.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.538 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 47' ' ' LEU . . . -73.65 -16.84 61.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.483 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -58.74 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.338 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 42' ' ' SER . 49.6 p90 -79.99 -48.96 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.392 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 5.2 p -96.71 128.26 43.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 95.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 -13.59 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -85.46 -33.43 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.43 HD12 HD11 ' A' ' 131' ' ' LEU . 2.6 pp -62.88 -35.88 81.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -58.98 -50.33 74.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.55 -44.82 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -56.05 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.021 HD22 HD13 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -62.61 -40.38 96.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.44 -37.86 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.553 ' O ' HG22 ' A' ' 57' ' ' THR . . . -70.56 -38.19 68.48 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.155 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -69.82 -29.82 67.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD11 HD23 ' A' ' 51' ' ' LEU . 5.2 mt -77.1 -34.94 56.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.308 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -70.5 -47.61 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.099 0.476 . . . . 0.0 110.507 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.713 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.2 t -63.05 -46.52 87.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.99 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.678 ' O ' HG22 ' A' ' 61' ' ' THR . 6.1 p -61.13 -44.41 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.678 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 58' ' ' VAL . 13.3 ttmt -58.14 -34.76 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -65.07 -44.42 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 58' ' ' VAL . 6.0 t -70.8 -30.21 66.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.869 HD12 HG23 ' A' ' 117' ' ' VAL . 1.1 mm? -70.22 -46.33 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.302 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' ' 66' ' ' ILE . 3.9 mm-40 -64.07 -36.21 83.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.529 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.19 92.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.437 ' HG2' HD12 ' A' ' 69' ' ' LEU . 24.6 ttp -58.73 -54.99 40.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 63' ' ' GLN . 6.3 tt -58.19 -32.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -43.46 95.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.43 -33.85 58.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 113' ' ' ALA . 1.6 mt -61.29 -38.43 86.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -100.92 138.96 20.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.34 -20.94 27.31 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.549 2.166 . . . . 0.0 112.475 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.42 85.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.12 131.81 38.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -177.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.29 155.02 43.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.58 121.49 4.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 59.92 93.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.938 0.399 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.21 105.74 14.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 m -106.58 -65.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.772 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.1 87.07 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -109.35 -26.24 10.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.435 ' CB ' ' CD ' ' A' ' 83' ' ' PRO . 16.2 m-85 -165.89 -64.3 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 82' ' ' TYR . 22.5 Cg_endo -61.6 125.49 16.87 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.387 2.058 . . . . 0.0 112.331 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.1 p -114.55 -45.08 3.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.86 107.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . 115.85 104.35 2.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 86' ' ' GLY . . . 72.93 -60.1 0.55 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.688 0.28 . . . . 0.0 111.374 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 63.37 38.42 10.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.67 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.63 79.03 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.0 m -85.41 -37.17 20.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.35 -32.93 74.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.12 158.51 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.8 91.3 8.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.6 m -110.6 153.06 43.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.54 161.19 46.92 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.618 2.212 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.22 -38.82 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -130.64 141.12 12.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m 60.13 94.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.733 0.301 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.26 -172.09 24.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -128.09 176.31 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -90.59 -76.12 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -173.5 108.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.4 m -59.29 110.69 2.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.49 -32.13 33.53 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.385 2.056 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 109' ' ' ALA . 2.0 pp -171.7 176.92 3.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.819 ' O ' HD12 ' A' ' 105' ' ' LEU . 17.6 p -59.16 155.74 32.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 39.2 Cg_endo -66.55 69.94 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.459 2.106 . . . . 0.0 112.365 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 p -136.02 -47.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.85 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -83.33 -30.52 27.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.995 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -47.15 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.424 HD11 ' O ' ' A' ' 107' ' ' PRO . 1.3 mp -64.66 -45.99 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.4 t -59.36 -51.36 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.75 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.616 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -57.4 -54.47 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -27.4 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.33 -30.78 66.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 25.2 mm -73.07 -48.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.869 HG23 HD12 ' A' ' 62' ' ' LEU . 8.4 p -59.71 -42.04 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -63.4 -58.13 12.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -39.02 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 120' ' ' LEU . 5.7 tt -60.91 -55.87 27.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -33.97 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -64.59 -40.09 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -53.42 55.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.592 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.14 -33.23 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.805 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.53 -53.47 45.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.355 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.73 85.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.51 HD11 HD22 ' A' ' 32' ' ' LEU . 1.8 tt -64.64 -44.25 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.27 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -35.29 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -65.9 -41.15 91.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.724 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.021 HD13 HD22 ' A' ' 51' ' ' LEU . 9.1 tt -64.2 -49.22 72.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.718 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.66 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.59 -55.1 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.28 -35.99 80.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -48.22 70.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -66.99 -47.96 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.82 -45.51 93.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.64 92.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -69.75 -39.48 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.44 -37.5 74.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -30.12 69.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.0 -26.11 61.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.226 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.44 29.16 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.25 -47.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.828 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 82.2 mttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.91 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -137.87 136.95 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.943 0.402 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -97.96 36.97 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -177.04 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.44 ' N ' ' HD3' ' A' ' 6' ' ' PRO . . . 58.48 61.51 7.32 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.65 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 5' ' ' GLY . 22.6 Cg_exo -64.67 -54.95 0.61 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.135 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -161.25 127.69 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -159.24 87.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.61 -46.05 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -120.61 30.29 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 4.0 m -103.61 110.98 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 11' ' ' SER . 40.4 m170 74.92 -47.26 0.62 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.621 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp -60.3 -29.86 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.514 HG23 ' OE1' ' A' ' 68' ' ' GLN . 13.2 p -61.02 -39.67 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -73.3 -33.27 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.53 74.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.36 -41.08 92.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 14' ' ' VAL . 23.6 t -69.8 -30.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.75 -51.68 39.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.73 -34.21 77.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' HG22 ' A' ' 25' ' ' ILE . 45.0 mttp -68.24 -30.09 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.766 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HA ' HG22 ' A' ' 25' ' ' ILE . 8.5 t -76.14 -38.44 56.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -70.15 -47.35 62.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.01 74.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 21' ' ' LYS . 4.6 tp -58.26 -39.34 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.013 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -52.56 46.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.019 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.74 -27.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 109.883 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE2' ' CB ' ' A' ' 57' ' ' THR . 39.5 tttp -70.74 -54.85 10.17 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -30.77 71.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.026 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -46.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -63.36 -43.69 96.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.885 HD13 ' HG2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -60.61 -44.9 95.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.53 -49.73 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.39 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.222 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.1 tt -73.12 -42.76 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.154 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -52.16 -50.39 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.06 -52.84 16.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.677 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.55 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.635 0.255 . . . . 0.0 111.498 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.411 ' CE ' ' O ' ' A' ' 40' ' ' MET . 7.0 tpt -51.52 -59.66 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.421 ' CE2' ' HA2' ' A' ' 38' ' ' GLY . 29.3 p90 -80.69 -30.31 36.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.247 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -70.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.221 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.02 107.1 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.885 ' HA ' HD21 ' A' ' 47' ' ' LEU . 39.2 t0 -83.26 53.27 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 -43.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.604 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -33.9 72.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.885 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -72.96 -34.85 66.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.36 -50.26 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.653 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.59 -43.22 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.1 p -63.18 -35.89 81.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.756 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -63.19 -46.01 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.626 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -57.84 -53.75 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.61 -51.35 54.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.885 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -55.82 -37.89 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.786 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.946 HD11 HG11 ' A' ' 124' ' ' VAL . 3.3 mm? -63.91 -45.71 88.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -33.03 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.438 ' CB ' ' HE2' ' A' ' 28' ' ' LYS . 87.3 m -65.64 -53.74 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.798 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.914 HG23 HD13 ' A' ' 120' ' ' LEU . 13.2 p -67.84 -34.78 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.979 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -69.84 -45.48 67.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.171 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.28 -42.67 75.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.654 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.5 t -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.888 HD21 HD12 ' A' ' 120' ' ' LEU . 17.9 mt -68.77 -35.98 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -60.72 -41.09 94.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.55 79.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.512 ' HE2' HD23 ' A' ' 62' ' ' LEU . 2.7 ttp -61.58 -47.0 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.834 ' HA ' HD12 ' A' ' 69' ' ' LEU . 19.0 mt -61.53 -46.36 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.3 -34.58 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.692 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.514 ' OE1' HG23 ' A' ' 14' ' ' VAL . 47.6 tt0 -75.83 -30.35 58.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.739 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 66' ' ' ILE . 6.0 mt -73.41 -33.06 64.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -105.66 94.68 9.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.03 89.7 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.402 2.068 . . . . 0.0 112.39 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 -46.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.04 126.78 42.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.05 99.27 3.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 59.74 88.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.31 -149.41 42.53 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.552 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -88.34 -69.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.31 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.24 83.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m 60.48 158.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.42 133.49 41.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.34 172.74 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.29 114.09 3.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -51.21 124.06 13.25 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.511 2.14 . . . . 0.0 112.357 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.8 m -139.33 110.94 7.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -166.96 126.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 160.24 104.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.17 159.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -91.18 -34.41 15.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.764 ' O ' HG22 ' A' ' 94' ' ' VAL . 1.9 tt0 172.26 98.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.762 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 m -128.13 -44.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.985 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.82 -40.58 84.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.27 -78.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.736 HD12 ' HD3' ' A' ' 95' ' ' PRO . 3.7 pp -161.47 148.23 14.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 89' ' ' GLU . 27.6 t -103.34 92.59 4.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.231 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.736 ' HD3' HD12 ' A' ' 93' ' ' LEU . 55.4 Cg_endo -69.6 -45.46 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.463 2.109 . . . . 0.0 112.328 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.11 35.2 21.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -175.16 73.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.8 t -103.81 -38.26 7.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.71 -172.2 44.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.551 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -70.04 -62.62 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 62.15 149.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.2 98.7 4.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 107.59 19.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.63 -39.99 6.07 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.474 2.116 . . . . 0.0 112.37 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.746 HD21 ' HD3' ' A' ' 110' ' ' ARG . 5.6 tp -71.78 146.44 48.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -141.07 167.09 18.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.694 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 42.6 Cg_endo -67.7 64.59 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.536 2.157 . . . . 0.0 112.12 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.456 ' HA ' HD11 ' A' ' 111' ' ' ILE . 18.7 p -177.33 -36.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.73 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.746 ' HD3' HD21 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -78.18 -49.05 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.938 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 108' ' ' SER . 0.8 OUTLIER -63.55 -34.66 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -66.66 -39.03 88.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.976 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.726 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -72.67 -38.83 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.459 HD22 HD13 ' A' ' 69' ' ' LEU . 4.4 mm? -78.03 -33.95 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.577 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -74.63 -37.07 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.718 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.665 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.37 -45.19 76.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.635 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.878 HG23 HD13 ' A' ' 62' ' ' LEU . 6.9 p -59.64 -47.88 89.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.88 0.371 . . . . 0.0 110.424 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.477 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -61.55 -35.59 91.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.864 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -69.02 -38.24 79.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 110.64 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.914 HD13 HG23 ' A' ' 58' ' ' VAL . 18.0 mt -59.4 -56.23 24.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.423 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.72 -40.27 75.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -60.86 -46.72 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.177 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -62.0 -38.74 89.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.946 HG11 HD11 ' A' ' 55' ' ' LEU . 44.5 t -64.8 -41.4 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.602 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.52 95.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.107 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.91 -34.2 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.1 -47.41 65.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.03 -29.51 69.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 t -66.68 -49.16 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.83 -40.87 96.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.683 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.875 HD11 HD12 ' A' ' 47' ' ' LEU . 5.1 tt -62.0 -39.46 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.623 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.63 81.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.22 -32.33 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.726 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.5 -48.86 59.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.715 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -63.1 -37.26 86.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -40.92 86.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.781 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.82 -44.75 61.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -63.83 -30.09 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.94 24.3 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -114.81 -36.92 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.775 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.44 -33.45 67.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.4 m -75.92 -31.99 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -70.68 -46.23 63.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.0 mttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.916 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -109.44 -29.72 8.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.67 31.21 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -165.45 -69.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.89 66.39 2.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.05 51.63 3.94 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.69 2.26 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -100.2 -26.49 13.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? 179.5 77.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -149.47 57.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -175.95 159.17 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 77.9 p -124.07 160.53 27.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 11' ' ' SER . 0.1 OUTLIER 77.67 -42.23 0.37 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.682 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -30.28 46.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.828 0.346 . . . . 0.0 111.085 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.515 HG23 ' NE2' ' A' ' 68' ' ' GLN . 11.1 p -54.29 -28.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.4 t -73.84 -30.94 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.85 75.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -70.41 -31.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.18 -51.58 13.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -36.23 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.54 -41.9 87.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.2 t -60.98 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.94 -43.85 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.96 84.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.776 HD13 HG21 ' A' ' 61' ' ' THR . 1.2 tp -59.39 -40.83 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.63 -52.08 27.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.34 -27.39 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.944 0.402 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HD2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -70.94 -53.03 16.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.964 179.68 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.89 -31.36 70.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.993 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -49.58 69.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.624 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.76 -37.57 87.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD13 ' HG2' ' A' ' 54' ' ' GLU . 14.8 tp -67.91 -44.21 77.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.92 -45.77 86.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -44.26 96.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -30.43 66.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD11 HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -66.06 -53.73 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -55.78 -53.79 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.085 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.55 -50.33 67.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -61.22 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG2' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.15 -52.49 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.44 -28.64 37.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -79.87 -66.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -122.38 -143.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.562 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -158.45 -41.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.23 -20.64 51.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.04 64.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.384 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 48' ' ' PHE . 3.5 pp -62.3 -32.64 73.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' N ' HD12 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -64.43 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.696 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -60.82 -50.94 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -37.79 76.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.767 ' HG ' HD23 ' A' ' 55' ' ' LEU . 6.4 tp -63.28 -43.36 98.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.696 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.99 -52.76 64.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.024 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.45 -36.94 93.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.556 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -71.14 -35.96 71.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.079 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.767 HD23 ' HG ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -69.12 -44.96 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.974 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.34 -43.49 98.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 0.0 110.352 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.555 HG21 ' HD2' ' A' ' 28' ' ' LYS . 58.8 m -56.78 -56.59 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.592 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.829 HG22 ' CD2' ' A' ' 62' ' ' LEU . 12.2 p -58.99 -34.73 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.61 -47.17 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.91 -33.28 74.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.178 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.776 HG21 HD13 ' A' ' 25' ' ' ILE . 21.2 m -62.86 -52.4 63.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.829 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.4 mm? -59.63 -43.06 93.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.489 ' O ' HD12 ' A' ' 67' ' ' LEU . 3.2 mt-30 -63.05 -40.22 97.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.97 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 ttp -59.63 -48.36 81.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.466 HD12 ' O ' ' A' ' 62' ' ' LEU . 8.5 mt -66.98 -42.23 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 63' ' ' GLN . 5.7 mt -63.4 -36.97 85.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.515 ' NE2' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -67.84 -50.52 56.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.642 HD11 ' HB1' ' A' ' 113' ' ' ALA . 13.8 mt -65.63 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -88.34 131.47 42.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.94 121.74 7.56 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.456 2.104 . . . . 0.0 112.347 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.0 p -116.47 26.79 9.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.044 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.15 -37.33 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 60.59 168.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.82 160.87 8.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.37 73.2 1.21 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -90.0 -33.45 16.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.81 38.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 t -77.05 104.17 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.4 97.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.3 m -163.91 -44.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.435 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 0.2 OUTLIER -177.91 -61.67 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.948 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 82' ' ' TYR . 29.9 Cg_endo -63.08 134.48 46.19 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.436 2.091 . . . . 0.0 112.214 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.61 119.62 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.97 120.6 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.56 83.45 1.21 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.49 147.1 27.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.795 0.331 . . . . 0.0 111.071 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.69 43.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 60.63 31.36 20.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.7 p -87.32 -29.79 21.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -30.83 69.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.11 -71.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -165.49 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.483 HG23 ' HD2' ' A' ' 95' ' ' PRO . 9.9 p -56.84 137.88 78.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.483 ' HD2' HG23 ' A' ' 94' ' ' VAL . 16.4 Cg_endo -57.49 160.93 12.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.473 2.115 . . . . 0.0 112.212 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 154.15 17.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.4 95.97 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -141.39 178.54 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.705 0.288 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -172.13 -116.38 0.4 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.17 136.63 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -158.08 31.28 0.49 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 m -101.78 90.96 4.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.402 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.9 p -162.94 113.27 1.06 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.734 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.67 -44.33 4.46 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.456 2.104 . . . . 0.0 112.193 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 110' ' ' ARG . 2.0 pp -170.16 177.02 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 70.8 p -68.54 155.11 93.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 43.7 Cg_endo -68.0 86.7 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p -169.61 -42.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.485 ' HB3' HD13 ' A' ' 105' ' ' LEU . . . -71.61 -44.46 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.596 ' HG2' HD11 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -60.05 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.0 mp -65.81 -46.18 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 t -64.46 -42.61 95.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.892 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.91 -50.23 74.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.16 -28.26 66.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -46.52 75.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -69.94 -36.97 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.938 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.8 t -58.62 -53.3 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.493 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.83 99.29 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.754 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -34.81 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.391 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.647 HD13 HD11 ' A' ' 62' ' ' LEU . 3.9 tt -67.09 -57.04 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.62 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -60.63 -52.71 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.87 -41.16 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.14 87.12 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.55 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.94 -36.43 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.86 -48.54 68.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m -64.58 -32.76 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -68.11 -45.94 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.698 HD12 HD11 ' A' ' 36' ' ' LEU . 10.0 tt -62.33 -46.81 87.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.91 94.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.77 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -33.5 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -66.48 -48.96 68.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -37.07 80.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.752 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -34.13 68.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.94 -46.36 74.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -73.0 -37.93 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.92 -37.51 87.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -67.57 -32.36 73.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -81.42 -49.36 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.7 t -67.09 -36.8 82.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 11.4 mtp-105 59.7 109.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.82 173.5 15.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -152.27 33.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.01 92.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.32 100.58 1.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.0 63.48 1.35 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.51 2.14 . . . . 0.0 112.216 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -166.5 156.93 12.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -88.67 -70.2 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.38 84.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -104.87 -29.69 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.1 p -95.94 21.6 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -120.47 -38.5 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.0 tp -60.83 -44.89 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.481 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.3 p -66.58 -44.79 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.481 ' N ' HG13 ' A' ' 14' ' ' VAL . 14.8 m -63.11 -31.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.29 92.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.25 -43.73 95.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.08 -37.23 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.55 56.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.4 -34.36 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.78 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -66.14 -41.25 90.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.451 ' O ' HG22 ' A' ' 25' ' ' ILE . 49.0 t -66.1 -38.74 88.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.1 tm-20 -68.17 -40.19 82.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -74.58 -41.11 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.744 HD13 HG21 ' A' ' 61' ' ' THR . 3.5 tp -62.32 -35.34 68.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.031 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.24 -52.25 7.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.383 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 23' ' ' GLU . 16.5 m -56.7 -27.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.046 0.45 . . . . 0.0 110.207 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.577 ' HE2' HG21 ' A' ' 57' ' ' THR . 30.5 tttp -71.97 -53.47 12.93 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.738 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.59 -30.12 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -49.98 64.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.25 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.947 HD11 HD22 ' A' ' 51' ' ' LEU . 5.8 tp -68.19 -35.91 78.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.733 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.618 ' O ' HD12 ' A' ' 37' ' ' LEU . 2.9 mm-40 -66.44 -46.36 76.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.97 -33.15 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -31.74 27.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 51' ' ' LEU . 7.7 tt -71.46 -34.04 69.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -66.6 -53.27 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.79 -31.52 70.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.12 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.639 0.257 . . . . 0.0 111.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -55.57 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.23 -52.66 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 1.4 p -90.24 151.58 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.933 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.428 ' O ' ' CB ' ' A' ' 44' ' ' ASP . 8.4 m-70 64.51 -75.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 5.0 t70 82.21 -51.1 0.22 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.68 -26.59 67.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.71 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.707 ' O ' HD23 ' A' ' 51' ' ' LEU . 1.2 pp -58.85 -32.02 69.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.987 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -67.91 -50.16 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -66.98 -41.99 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.6 p -62.02 -44.61 96.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.947 HD22 HD11 ' A' ' 32' ' ' LEU . 3.7 mm? -63.47 -36.64 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -56.71 18.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.94 92.75 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.29 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.856 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.75 -39.34 80.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.626 179.691 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.1 mm? -64.72 -35.33 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -71.12 -42.0 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.577 HG21 ' HE2' ' A' ' 28' ' ' LYS . 90.0 m -59.51 -53.52 57.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.647 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.802 HG22 ' CD2' ' A' ' 62' ' ' LEU . 8.5 p -59.96 -38.08 75.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.808 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -54.39 -47.43 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.423 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.19 -29.6 67.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.453 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.744 HG21 HD13 ' A' ' 25' ' ' ILE . 47.7 m -66.63 -51.34 57.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.82 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.802 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.5 mm? -62.86 -43.74 97.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.582 ' O ' HD23 ' A' ' 67' ' ' LEU . 6.4 tt0 -61.72 -38.39 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.29 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.609 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -66.23 -39.77 89.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.4 mt -70.44 -39.68 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 63' ' ' GLN . 3.5 mm? -69.42 -39.37 77.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 65' ' ' MET . 3.4 mt -73.19 -47.83 40.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.87 111.18 50.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.75 -163.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.425 2.083 . . . . 0.0 112.255 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 t -143.6 31.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.65 114.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.97 85.01 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 64.32 -78.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.83 -76.92 0.24 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.33 -55.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.755 0.312 . . . . 0.0 110.821 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -131.51 -46.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.5 -68.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.785 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 58.68 34.6 23.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.43 -74.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 38.2 m-85 -69.11 -60.16 4.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.087 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 82' ' ' TYR . 35.0 Cg_endo -65.02 130.48 25.91 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.277 1.985 . . . . 0.0 112.268 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.3 -47.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.44 160.95 30.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.66 132.94 6.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.3 102.94 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.095 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -90.75 88.32 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -176.49 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 p -99.44 -39.79 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.94 -41.5 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -100.44 148.13 25.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.5 tp -67.86 -60.88 2.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.7 m -63.06 139.22 97.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.32 99.88 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.557 2.172 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.24 112.53 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.13 -29.61 7.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.541 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.2 p -116.25 164.35 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.21 178.79 23.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -73.51 97.36 2.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.23 49.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 p -118.85 30.87 6.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.758 0.313 . . . . 0.0 110.983 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -162.43 141.48 7.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.72 -39.71 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.551 2.167 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.819 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 1.3 pp -175.4 170.5 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.6 p -81.41 162.66 57.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.39 85.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 p -165.77 -44.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.819 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . . . -77.86 -43.47 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.421 ' HG2' HD11 ' A' ' 105' ' ' LEU . 42.4 mmm-85 -60.97 -49.0 79.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.5 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -65.01 -45.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.9 t -63.22 -37.29 86.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.87 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.9 -48.2 80.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.14 -24.89 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.6 -46.39 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.81 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.22 -38.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.306 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 113' ' ' ALA . 61.8 t -58.77 -51.25 74.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.07 -43.57 98.97 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.034 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -38.05 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.495 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 62' ' ' LEU . 1.9 tt -63.92 -54.58 32.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -33.15 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.77 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -48.82 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -60.09 -48.73 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.754 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.62 -33.81 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.75 -51.37 59.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.336 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.629 ' CD1' HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -68.78 -45.7 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.56 99.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.0 m -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -65.17 -40.93 94.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.547 HD12 ' HG ' ' A' ' 51' ' ' LEU . 1.2 tt -61.89 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.39 73.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.51 -53.73 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 26.9 p -64.9 -34.21 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -65.55 -45.57 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -62.87 -39.74 95.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -68.24 -37.19 80.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.67 -31.75 62.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -71.06 -38.21 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.67 -43.24 69.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -31.26 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.1 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.5 26.65 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 56.32 -177.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 14.0 mttp . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.9 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.17 -173.26 3.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.52 42.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -167.87 100.18 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.56 143.88 15.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.19 100.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.581 2.187 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -72.33 129.22 37.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.01 76.86 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.772 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -119.05 -30.66 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.211 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.65 116.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.486 ' HB3' HD12 ' A' ' 105' ' ' LEU . 2.9 m -95.77 20.9 9.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.55 -30.69 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.713 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.805 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -71.26 -34.91 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.84 -34.05 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.2 t -69.43 -31.21 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.88 -31.18 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.55 -50.77 70.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -58.68 -30.39 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.08 -51.86 21.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -66.59 -35.11 79.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -69.01 -51.31 40.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.03 -35.94 69.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.64 -46.33 72.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.395 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.889 HD11 HG21 ' A' ' 61' ' ' THR . 27.2 mm -61.01 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.29 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.54 -52.33 40.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.675 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.86 -27.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.114 0.483 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.803 ' HE2' HG21 ' A' ' 57' ' ' THR . 54.2 tttp -74.73 -55.02 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.53 -29.23 70.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -47.67 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.641 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.42 -35.08 79.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD12 ' HG2' ' A' ' 54' ' ' GLU . 4.9 tt -66.92 -43.19 83.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -48.97 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.072 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.28 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -28.32 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 HD12 ' A' ' 131' ' ' LEU . 7.7 tt -73.08 -37.52 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.61 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 -44.3 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.8 -24.21 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -59.06 3.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -29.58 37.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -81.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.142 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.03 90.55 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.719 ' HA ' HD21 ' A' ' 47' ' ' LEU . 6.1 p-10 -64.74 -23.68 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.2 -24.36 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.337 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.91 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 111.541 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -60.41 -35.52 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.166 -179.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.43 -50.15 72.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -71.29 -32.27 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -47.82 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.664 HD11 ' CD2' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -63.31 -42.94 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.853 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.67 -54.6 44.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.591 ' O ' HG22 ' A' ' 57' ' ' THR . . . -68.3 -31.28 74.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.69 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.47 -30.4 57.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.728 0.299 . . . . 0.0 110.971 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 ' CG1' ' A' ' 124' ' ' VAL . 1.9 mm? -76.2 -35.12 59.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -73.0 -47.02 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 110.547 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.803 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -60.72 -49.33 77.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.873 HG22 ' CD2' ' A' ' 62' ' ' LEU . 11.7 p -60.02 -44.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 58' ' ' VAL . 6.0 mtmt -54.9 -39.76 69.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.467 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -45.02 89.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.889 HG21 HD11 ' A' ' 25' ' ' ILE . 4.3 t -67.95 -34.66 77.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.096 HD12 HG23 ' A' ' 117' ' ' VAL . 0.9 OUTLIER -62.09 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -70.05 -32.29 70.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.79 -55.02 16.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.513 ' SD ' HD13 ' A' ' 62' ' ' LEU . 8.3 ptm -58.0 -49.52 76.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.283 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.518 ' HA ' HD12 ' A' ' 69' ' ' LEU . 20.1 tt -58.68 -36.08 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.69 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -61.81 -31.79 72.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.78 HD11 ' HB1' ' A' ' 113' ' ' ALA . 10.8 mt -66.26 -45.23 81.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -93.72 103.89 11.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.54 93.16 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.3 p -129.8 26.09 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -148.65 177.28 9.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.77 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -113.62 -35.68 5.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.96 30.04 15.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.45 139.57 14.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -146.61 -62.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.87 -46.41 10.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -61.83 137.08 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.09 -47.63 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m 60.96 96.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -70.12 159.5 84.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -61.32 119.86 7.23 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.555 2.17 . . . . 0.0 112.291 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.4 m -83.0 -67.37 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.001 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 58.51 95.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -113.63 -166.76 16.26 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.515 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -127.56 153.1 46.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.57 ' CA ' ' HB3' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -161.12 30.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.37 -60.61 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.23 -54.67 5.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.29 -47.05 74.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.57 ' HB3' ' CA ' ' A' ' 88' ' ' GLN . . . -91.45 144.13 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.1 tp -78.62 -29.39 45.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 94' ' ' VAL . 34.1 m -107.54 115.12 59.85 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.19 -22.87 34.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.406 2.07 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -60.11 3.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 97.14 -71.17 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.409 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 p -151.14 178.38 9.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.823 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.17 177.97 21.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -119.96 -178.99 3.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -112.99 -160.52 14.4 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.396 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -101.37 -32.28 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -114.26 161.61 27.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.67 -28.84 87.62 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.606 2.204 . . . . 0.0 112.196 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.857 HD22 ' HB3' ' A' ' 109' ' ' ALA . 7.2 tt -148.13 157.04 43.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.796 ' O ' HD23 ' A' ' 105' ' ' LEU . 3.1 t -57.07 148.64 49.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.47 91.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.754 2.302 . . . . 0.0 112.297 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.17 -47.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.718 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.857 ' HB3' HD22 ' A' ' 105' ' ' LEU . . . -83.36 -45.91 13.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.645 ' CZ ' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -67.75 -46.51 71.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -62.1 -44.51 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 111' ' ' ILE . 9.7 t -70.34 -36.47 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.78 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -71.93 -38.05 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HA ' HG12 ' A' ' 117' ' ' VAL . 3.7 mm? -77.38 -32.61 55.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.09 -42.18 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.697 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -70.06 -45.73 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.274 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 1.096 HG23 HD12 ' A' ' 62' ' ' LEU . 7.4 p -58.07 -45.46 88.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.706 0.289 . . . . 0.0 110.514 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.471 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -66.36 -39.4 94.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.791 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.21 -31.13 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.658 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.85 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.3 tp -64.52 -56.59 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -37.57 82.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -55.78 -48.58 75.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -33.93 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 120' ' ' LEU . 42.7 t -65.29 -45.33 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.652 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.36 -45.49 96.33 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.123 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.97 93.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.664 ' CD2' HD11 ' A' ' 51' ' ' LEU . 9.1 tt -71.16 -39.99 71.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 m -65.13 -42.44 93.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -35.61 76.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.747 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.642 HD13 HD22 ' A' ' 51' ' ' LEU . 3.1 tt -69.72 -55.09 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.79 74.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.89 -35.4 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 7.3 m -68.99 -50.23 50.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -38.75 92.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.836 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -67.19 -36.14 81.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -57.82 9.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.36 98.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -59.74 -35.02 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.89 -43.0 14.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.15 -39.91 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.32 -52.18 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.051 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.26 -32.39 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.85 -45.76 70.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m 65.43 -75.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.577 0.227 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 69.01 -64.78 0.31 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.869 0.366 . . . . 0.0 110.67 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -83.07 -32.25 26.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.811 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.91 75.78 1.0 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.475 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.37 -55.49 3.57 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.608 2.205 . . . . 0.0 112.376 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.5 116.24 11.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -54.21 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.84 -50.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.24 89.31 0.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 3.9 t -144.91 149.39 35.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 11' ' ' SER . 1.9 m-70 81.56 -17.82 0.53 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.797 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -64.41 -35.61 74.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.917 0.389 . . . . 0.0 110.719 179.718 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.28 -38.51 79.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.7 m -74.76 -35.24 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.4 -41.53 94.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.9 -32.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.46 -51.86 34.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.292 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.92 -44.4 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.351 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' O ' HG12 ' A' ' 25' ' ' ILE . 24.8 mttt -57.7 -47.82 81.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.417 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.9 -46.55 71.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -58.14 -36.09 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.447 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -68.26 -35.07 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.487 HD11 HG21 ' A' ' 61' ' ' THR . 45.8 mm -62.49 -51.2 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.47 52.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.403 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.7 m -57.92 -27.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.071 0.462 . . . . 0.0 110.066 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -54.89 6.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.965 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.3 mm? -61.01 -32.41 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -49.65 60.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -66.74 -34.83 78.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD22 ' HG2' ' A' ' 54' ' ' GLU . 24.9 tp -68.17 -43.78 77.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.732 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.7 -49.78 76.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -36.75 78.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.79 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -76.67 -32.05 57.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.79 HD11 HD12 ' A' ' 131' ' ' LEU . 3.5 tp -62.77 -41.86 99.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.791 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.63 -41.94 95.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -49.91 58.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.567 ' HB1' ' N ' ' A' ' 47' ' ' LEU . . . -59.44 -34.73 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.63 85.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -80.49 -31.06 37.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -77.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -145.87 -82.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 176.0 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.06 -42.18 84.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.37 -32.93 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' N ' ' HB1' ' A' ' 39' ' ' ALA . 50.9 tp -63.41 -51.1 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -66.81 -39.25 87.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.799 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -52.24 66.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -39.56 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.777 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.973 HD13 HD13 ' A' ' 131' ' ' LEU . 5.7 tp -69.13 -37.64 78.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.77 -56.63 19.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.23 -35.69 92.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.436 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.637 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.96 -47.94 72.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.833 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.815 HD23 ' HG ' ' A' ' 51' ' ' LEU . 1.1 mm? -60.9 -34.77 75.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -66.38 -41.96 88.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.555 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.1 m -63.48 -54.48 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.807 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -56.88 -34.61 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -66.41 -38.84 88.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -69.35 -45.31 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 25' ' ' ILE . 2.0 t -64.03 -41.17 97.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.138 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 58' ' ' VAL . 2.2 mm? -65.34 -49.47 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -57.08 -40.52 77.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.66 84.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.616 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -66.32 -46.42 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.88 -39.32 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -41.04 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.738 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -34.93 62.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.833 HD11 ' HB1' ' A' ' 113' ' ' ALA . 6.3 mt -70.57 -42.64 70.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.5 114.7 53.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.81 133.39 39.39 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.415 2.077 . . . . 0.0 112.373 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.45 88.98 4.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -111.85 -68.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -107.86 -179.17 3.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.44 -49.65 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.0 162.15 9.46 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.74 -169.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.66 179.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.61 157.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.08 -40.46 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 83' ' ' PRO . 23.9 p -72.35 156.54 38.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.746 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.604 ' N ' ' CD ' ' A' ' 83' ' ' PRO . 2.7 p90 -88.63 -32.02 0.39 Allowed Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 82' ' ' TYR . 90.4 Cg_endo -83.6 132.36 5.75 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.836 1.691 . . . . 0.0 112.343 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 t -81.17 120.75 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.042 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 59.68 110.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.233 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.65 51.27 3.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.345 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.42 150.39 7.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.9 89.72 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.9 -51.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 91' ' ' GLU . 11.8 t -99.21 -46.3 5.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 90' ' ' THR . 4.6 mt-10 -69.47 -37.32 77.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.69 151.52 25.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.2 mp -109.72 -44.97 3.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.9 m -83.65 147.01 51.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.69 177.59 7.36 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.563 2.175 . . . . 0.0 112.295 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -89.73 121.63 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.79 -49.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 m -118.44 -46.29 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.17 -115.31 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.49 173.96 6.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 110.817 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 162.88 151.75 6.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.57 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.73 37.33 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.921 0.391 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.7 t -93.79 108.74 36.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.666 ' HG2' HD23 ' A' ' 105' ' ' LEU . 44.4 Cg_endo -68.15 -41.79 6.74 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.483 2.122 . . . . 0.0 112.273 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.666 HD23 ' HG2' ' A' ' 104' ' ' PRO . 0.6 OUTLIER -137.53 176.87 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.783 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.427 ' HB ' ' CD ' ' A' ' 107' ' ' PRO . 26.6 p -59.25 167.18 2.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.427 ' CD ' ' HB ' ' A' ' 106' ' ' THR . 19.0 Cg_exo -66.46 64.06 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.788 2.326 . . . . 0.0 112.314 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.53 -38.7 2.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.651 ' HB2' HD11 ' A' ' 105' ' ' LEU . . . -81.64 -29.27 33.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -49.19 76.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -34.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.013 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -61.05 -52.87 63.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.833 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -66.12 -51.09 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.54 -49.09 78.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.85 -39.21 73.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 9.6 mm -60.6 -47.44 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.744 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 113' ' ' ALA . 16.0 t -57.78 -46.73 87.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.36 -50.31 66.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.298 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -40.55 97.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.807 HD21 ' CG2' ' A' ' 58' ' ' VAL . 3.4 tt -63.19 -52.78 60.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -34.55 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -69.41 -40.77 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -44.24 79.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.588 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.517 HG23 HD23 ' A' ' 120' ' ' LEU . 43.1 t -64.99 -40.24 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.43 91.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.176 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.56 98.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.4 tt -68.74 -40.26 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -43.79 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -35.14 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.653 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.523 ' CE ' HD23 ' A' ' 36' ' ' LEU . 32.8 ttpt -64.58 -41.83 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.973 HD13 HD13 ' A' ' 51' ' ' LEU . 9.3 tt -68.42 -38.86 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.684 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.8 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 -39.97 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.76 -49.21 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -61.52 -43.32 99.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.731 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.59 -42.61 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.88 -40.99 99.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.54 74.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -37.34 65.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.738 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -65.84 -34.47 78.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -67.41 -28.17 67.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.17 -28.4 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 m -106.51 38.01 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.014 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.33 168.56 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 60.9 mttt . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.914 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.74 159.3 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -58.45 -29.49 66.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -110.91 -53.04 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.05 59.76 0.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.672 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.6 -44.34 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.571 2.181 . . . . 0.0 112.274 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -152.11 175.18 12.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 -53.13 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -112.7 61.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -127.96 156.12 43.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.781 ' O ' HG12 ' A' ' 14' ' ' VAL . 19.8 t -166.01 -43.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -57.27 -22.36 41.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -60.65 -26.69 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.102 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.781 HG12 ' O ' ' A' ' 11' ' ' SER . 11.7 p -56.21 -34.55 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.115 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -64.92 -43.16 93.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.52 80.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -59.13 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -61.93 -30.6 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.96 -51.83 42.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.5 -48.72 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 110.455 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -50.44 73.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -53.91 -41.8 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.93 -40.51 89.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.407 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.5 -38.9 85.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.504 HD12 HD11 ' A' ' 120' ' ' LEU . 49.6 mm -59.57 -46.82 92.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.25 -52.41 44.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.581 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 24' ' ' ALA . 22.3 m -56.87 -28.57 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.139 0.495 . . . . 0.0 110.063 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.581 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.8 OUTLIER -73.97 -54.88 6.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.846 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.3 mm? -63.5 -30.04 71.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.46 -50.31 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.382 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.594 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.1 tt -70.22 -43.48 70.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.87 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.93 -36.11 83.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -79.55 -30.6 41.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.443 HD11 HD12 ' A' ' 131' ' ' LEU . 3.1 tp -66.24 -56.36 11.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.27 -58.04 10.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -63.09 -22.05 66.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.696 0.284 . . . . 0.0 111.235 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.446 ' CE ' ' O ' ' A' ' 40' ' ' MET . 6.8 tpt -60.33 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.62 -30.49 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -70.92 -75.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -114.8 -143.34 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.438 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.44 -43.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.12 -22.96 51.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.945 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -50.92 69.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.269 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.675 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 4.4 pp -66.32 -38.92 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.796 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.639 ' N ' HD12 ' A' ' 47' ' ' LEU . 35.6 t80 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.795 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.33 -48.1 81.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.737 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -58.91 -37.22 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.764 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.887 ' HG ' HD13 ' A' ' 131' ' ' LEU . 1.2 mm? -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -49.74 76.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.94 92.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.166 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' CG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -71.21 -31.93 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.75 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 51' ' ' LEU . 1.9 mm? -69.83 -40.32 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.19 -36.4 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.581 HG21 ' HE2' ' A' ' 28' ' ' LYS . 78.2 m -65.27 -53.41 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.653 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.5 p -60.04 -34.9 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.02 0.438 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -63.7 -43.0 97.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.772 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.44 -49.66 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 58' ' ' VAL . 4.9 t -60.79 -30.87 70.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.951 HD21 HD22 ' A' ' 120' ' ' LEU . 1.2 mm? -71.22 -42.99 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.521 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.3 tt0 -63.12 -33.24 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.64 -44.96 61.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.779 ' CE ' HG22 ' A' ' 117' ' ' VAL . 6.8 ttp -60.5 -42.57 96.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mt -69.57 -40.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -66.89 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -76.53 -32.81 58.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.727 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -76.06 -49.76 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.778 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -58.67 113.99 7.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.4 -169.43 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.46 2.107 . . . . 0.0 112.31 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.85 48.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.07 102.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -113.51 -37.37 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.77 96.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.56 28.77 2.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -104.77 160.12 15.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.1 -62.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -79.87 150.97 30.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -113.0 139.85 48.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 m -126.97 166.37 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 84' ' ' THR . 4.1 t80 -141.84 117.54 7.05 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 105.45 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.308 2.006 . . . . 0.0 112.383 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 82' ' ' TYR . 77.9 p -120.85 31.9 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.46 96.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.52 39.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.78 111.94 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.335 . . . . 0.0 111.083 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.595 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 1.8 pp0? -147.59 39.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -100.03 -71.83 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.0 p -113.25 -37.51 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.79 -34.7 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 88' ' ' GLN . . . -98.07 131.08 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.55 31.59 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.9 m -120.84 153.71 57.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.35 -39.48 5.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.523 2.149 . . . . 0.0 112.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.5 100.69 10.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.81 -28.48 6.96 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 t -165.2 128.57 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.91 48.31 1.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.52 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -134.29 105.71 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -130.67 140.37 11.71 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.9 p -109.03 -46.11 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -89.91 149.54 42.02 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.763 ' HB2' HD23 ' A' ' 105' ' ' LEU . 57.8 Cg_endo -71.13 -43.58 1.51 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.544 2.163 . . . . 0.0 112.391 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.793 HD11 ' CB ' ' A' ' 109' ' ' ALA . 0.3 OUTLIER -155.51 172.1 18.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.971 179.814 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.91 163.73 7.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.32 67.02 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.788 2.325 . . . . 0.0 112.115 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.5 p -128.16 -44.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.793 ' CB ' HD11 ' A' ' 105' ' ' LEU . . . -76.06 -54.19 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -59.59 -45.84 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -64.82 -44.89 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.473 ' N ' HG23 ' A' ' 111' ' ' ILE . 24.0 t -66.95 -34.19 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.766 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.875 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -68.99 -50.88 45.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -28.55 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -70.33 -46.55 63.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -67.54 -37.92 79.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.4 t -59.53 -53.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.59 99.61 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.084 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.68 -33.83 74.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.675 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.951 HD22 HD21 ' A' ' 62' ' ' LEU . 6.9 tt -61.02 -56.82 16.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -31.71 72.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -57.93 -45.33 86.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.314 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.25 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 120' ' ' LEU . 42.7 t -64.47 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.686 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.6 62.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.072 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.11 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.84 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.03 -46.61 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.684 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -49.21 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.6 p -64.53 -39.23 93.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -39.83 94.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.782 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.887 HD13 ' HG ' ' A' ' 51' ' ' LEU . 1.3 tt -63.09 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.26 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.99 -44.46 69.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -42.94 98.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.7 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.59 HH11 HD11 ' A' ' 47' ' ' LEU . 41.8 mtp85 -61.47 -48.17 82.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.746 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -65.11 -30.85 71.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.749 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -31.77 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.99 -43.6 43.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -31.26 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -74.67 -37.36 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -72.5 -31.15 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.66 -37.78 87.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.7 m -120.86 30.85 6.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -177.53 -171.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -97.13 154.92 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.34 31.91 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -151.41 -49.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.92 150.52 27.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.24 78.6 1.16 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.568 2.179 . . . . 0.0 112.277 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 63.48 140.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.57 80.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.29 -67.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -176.91 37.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.93 -57.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -76.63 -31.84 57.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -69.09 -44.96 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.489 HG11 HD13 ' A' ' 105' ' ' LEU . 12.3 p -63.54 -33.82 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -70.61 -31.24 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.62 -47.0 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 t -69.21 -33.08 56.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.98 -51.71 43.26 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.47 -34.03 77.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.903 0.382 . . . . 0.0 110.821 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' ILE . 12.4 mttt -75.07 -37.29 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.7 t -63.93 -40.11 95.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 27' ' ' VAL . 34.8 mt-10 -71.02 -51.87 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.32 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.562 HG12 HD21 ' A' ' 120' ' ' LEU . 1.3 tp -58.14 -38.67 69.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.19 -52.25 53.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.869 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.511 HG12 ' CE1' ' A' ' 31' ' ' HIS . 39.5 t -58.58 -27.39 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.188 0.518 . . . . 0.0 109.763 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE2' HG21 ' A' ' 57' ' ' THR . 3.4 tmtm? -62.99 -55.11 28.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.069 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.66 -34.34 74.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.39 -50.2 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' HG12 ' A' ' 27' ' ' VAL . 24.8 m80 -62.5 -32.02 72.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.572 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD11 ' CB ' ' A' ' 54' ' ' GLU . 1.6 mt -60.05 -52.68 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.64 -37.39 86.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -31.52 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -47.74 84.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.22 -39.86 94.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -69.76 -50.43 30.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.683 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' CB ' ' HB3' ' A' ' 47' ' ' LEU . . . -71.84 -13.84 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.502 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -53.83 50.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 42' ' ' SER . 23.5 p90 -80.49 -41.82 23.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.437 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 68.9 p -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.85 102.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -83.79 -19.19 35.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.349 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -82.84 -32.64 27.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.847 0.356 . . . . 0.0 110.773 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 3.1 pp -61.95 -33.04 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.696 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -58.99 -50.25 74.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -67.49 -49.43 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.435 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -52.72 -47.12 67.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.584 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 127' ' ' LEU . 2.7 mm? -62.84 -35.93 81.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.296 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -56.31 -41.17 75.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.939 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.2 -39.98 71.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.04 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.533 ' CB ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -59.95 -40.71 89.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 0.0 110.643 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -72.42 -34.73 68.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.904 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -64.77 -34.12 77.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.434 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -79.47 -42.19 25.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 25' ' ' ILE . 6.2 p -66.83 -34.63 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.427 . . . . 0.0 110.607 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -73.43 -43.28 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.32 -41.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.754 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 58' ' ' VAL . 7.1 t -64.96 -44.2 90.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' A' ' 120' ' ' LEU . 13.4 mt -62.94 -35.43 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.1 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.182 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.77 97.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.578 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 69' ' ' LEU . 4.3 ttp -59.78 -52.51 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.762 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.708 ' HA ' HD12 ' A' ' 69' ' ' LEU . 6.5 mt -58.86 -30.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 tp -70.72 -33.33 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -37.26 56.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 66' ' ' ILE . 1.6 mt -73.77 -28.1 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -99.94 98.29 7.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.44 103.28 1.25 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.581 2.187 . . . . 0.0 112.366 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p -120.57 59.29 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -67.43 178.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -109.59 151.34 26.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.62 -31.46 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.62 -104.18 3.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.64 -30.97 7.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.77 106.18 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.14 89.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.48 165.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m 60.48 -177.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.66 96.19 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.65 144.9 18.53 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.549 2.166 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.96 129.53 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.1 118.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.24 51.46 0.82 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.596 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.437 ' HB3' HG23 ' A' ' 90' ' ' THR . . . -133.63 173.9 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -75.13 -43.73 51.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -176.67 94.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.437 HG23 ' HB3' ' A' ' 87' ' ' ALA . 17.8 p -110.62 -40.0 4.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.798 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.07 -27.61 65.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.27 -65.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.161 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 tt -162.89 -66.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.4 m -109.05 125.61 31.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.67 -62.49 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.43 2.087 . . . . 0.0 112.249 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -122.21 166.78 14.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.96 43.95 2.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.9 -66.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.56 103.13 0.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -83.93 -29.88 26.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.839 0.352 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.26 -122.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 102' ' ' THR . 6.9 t -175.05 113.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.8 p -152.48 107.44 2.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.708 ' HB2' HD23 ' A' ' 105' ' ' LEU . 18.3 Cg_endo -61.02 -74.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.366 2.044 . . . . 0.0 112.462 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.933 HD11 ' HB3' ' A' ' 109' ' ' ALA . 0.2 OUTLIER -153.87 -178.25 6.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 10.0 t -63.68 144.28 97.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 106' ' ' THR . 36.8 Cg_exo -60.53 88.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.513 2.142 . . . . 0.0 112.229 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.7 p -165.62 -45.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.933 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -82.39 -34.88 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.03 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -60.77 -48.94 79.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.0 mp -62.74 -44.85 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.6 t -65.61 -42.94 91.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.575 ' O ' HG12 ' A' ' 117' ' ' VAL . . . -66.7 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.38 -28.09 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.38 -46.57 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.661 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.53 -46.57 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.708 HG23 HD13 ' A' ' 62' ' ' LEU . 7.6 p -60.86 -43.96 96.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.444 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -65.96 -39.69 95.0 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.621 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.55 -36.34 80.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.925 0.393 . . . . 0.0 110.256 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.828 ' HB3' HD11 ' A' ' 62' ' ' LEU . 7.2 tp -60.3 -50.4 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.489 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -60.11 -40.87 91.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -47.09 87.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 120' ' ' LEU . 38.3 t -69.46 -34.06 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.71 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.76 -39.86 98.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.192 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.77 63.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 110.788 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 51' ' ' LEU . 7.6 tt -67.92 -49.31 62.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.719 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -34.58 78.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.7 m -60.12 -51.14 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -68.05 -30.54 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.491 HD13 ' HG ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -60.07 -55.31 35.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.67 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.14 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.996 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 5.7 m -70.3 -41.18 73.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 mtm105 -62.19 -49.92 73.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.739 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.43 -39.72 88.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.65 -41.99 71.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.63 94.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -71.03 -39.86 72.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -66.97 -38.67 86.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.799 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -65.14 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.86 -33.81 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.88 -29.8 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 60.44 167.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -117.62 75.89 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -84.93 58.14 4.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -68.66 -37.63 79.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.18 81.68 1.31 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.588 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.74 -40.44 84.65 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.534 2.156 . . . . 0.0 112.275 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 21.2 m95 60.89 106.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -164.51 31.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -91.04 -30.7 16.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -58.71 -67.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.31 23.52 10.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -113.65 -23.66 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.4 tp -60.66 -44.23 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.466 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.9 p -58.91 -36.79 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -75.37 -31.87 60.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -33.74 74.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.59 -32.76 70.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.15 -35.62 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.79 54.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.268 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -67.37 -46.71 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.4 . . . . 0.0 110.485 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' O ' HG12 ' A' ' 25' ' ' ILE . 33.5 mttt -57.4 -51.29 70.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.576 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.97 -43.48 69.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.38 -34.93 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.373 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -73.0 -38.95 66.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.947 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 21' ' ' LYS . 39.4 mm -61.46 -35.34 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -52.07 6.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 24' ' ' ALA . 23.8 m -56.51 -27.26 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.403 . . . . 0.0 110.321 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.8 ' HE2' HG21 ' A' ' 57' ' ' THR . 11.6 tttp -74.86 -53.85 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.844 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.09 -35.62 71.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -50.12 53.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.759 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.68 -45.32 93.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.742 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.728 HD13 ' HG2' ' A' ' 54' ' ' GLU . 3.7 tp -63.63 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.58 -50.96 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.76 -35.85 79.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -31.67 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD2' HD22 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -65.49 -46.72 78.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -53.19 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.23 95.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.32 -17.87 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.65 0.262 . . . . 0.0 111.397 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.62 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.76 -58.07 9.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -79.89 -37.73 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -93.31 100.32 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t60 59.96 106.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -80.27 -26.52 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.55 -33.23 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.011 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.27 71.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 40' ' ' MET . 14.0 mt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -69.45 -47.15 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -62.1 -46.72 87.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -46.61 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 131' ' ' LEU . 1.1 mp -66.71 -33.66 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.741 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -52.61 64.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.598 ' O ' HG22 ' A' ' 57' ' ' THR . . . -71.37 -30.24 67.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.384 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.728 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -74.64 -32.87 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.7 mm? -76.92 -34.94 57.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -69.52 -47.34 64.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.8 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.7 t -63.94 -48.93 74.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.735 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.5 p -59.44 -34.79 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.774 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -36.33 80.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.193 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.54 98.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.653 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 58' ' ' VAL . 14.4 t -71.61 -31.34 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.518 HD21 HD22 ' A' ' 120' ' ' LEU . 0.9 OUTLIER -67.67 -43.89 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.712 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' A' ' 66' ' ' ILE . 2.1 mm-40 -71.44 -35.38 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.94 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.537 ' HG2' HD11 ' A' ' 69' ' ' LEU . 5.3 ttp -69.1 -51.26 40.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 62' ' ' LEU . 4.5 tt -58.6 -34.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.32 -38.16 71.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -73.82 -31.55 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD11 ' HB1' ' A' ' 113' ' ' ALA . 6.1 mt -78.83 -53.97 6.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -107.54 97.48 19.89 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.02 -173.48 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.384 2.056 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -121.89 80.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.65 -175.77 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -129.64 -46.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.94 -75.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.6 -130.01 9.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.56 143.26 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.75 -71.42 0.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 t -98.93 123.66 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -171.77 -70.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -116.31 105.64 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.429 ' CB ' ' CD ' ' A' ' 83' ' ' PRO . 1.1 m-85 -72.66 -62.58 1.35 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 82' ' ' TYR . 30.5 Cg_endo -64.03 145.2 89.39 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.327 2.018 . . . . 0.0 112.341 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -134.91 97.3 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.24 -33.6 26.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.061 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.66 138.64 48.24 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.61 169.3 17.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.69 105.53 6.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 60.03 36.6 21.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -73.97 -35.7 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -32.43 73.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.51 175.53 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.6 mp -97.68 -31.44 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.7 t -66.05 116.29 31.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.62 137.89 49.49 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.468 2.112 . . . . 0.0 112.349 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -178.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.6 -113.2 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 t -97.22 113.48 25.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.6 -29.9 65.0 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -104.21 106.66 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.27 -167.85 34.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -171.12 35.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.333 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -80.59 145.6 59.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.709 ' HB2' HD23 ' A' ' 105' ' ' LEU . 51.3 Cg_exo -53.01 -49.45 17.56 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.496 2.131 . . . . 0.0 112.331 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 104' ' ' PRO . 1.9 pt? -164.75 -179.76 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 48.4 p -59.95 154.48 48.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 52.3 Cg_endo -69.35 63.04 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.508 2.139 . . . . 0.0 112.215 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -127.8 -41.6 1.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.624 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -80.77 -29.96 36.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -67.26 -49.16 65.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -60.66 -34.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.73 -42.37 86.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.687 ' O ' HG13 ' A' ' 117' ' ' VAL . . . -72.74 -37.33 67.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.298 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.407 ' HA ' HG22 ' A' ' 117' ' ' VAL . 4.3 mm? -78.64 -33.49 47.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -74.2 -37.62 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -71.98 -44.78 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.819 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 113' ' ' ALA . 29.7 m -60.17 -45.72 95.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.869 0.366 . . . . 0.0 110.336 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.482 ' N ' HG23 ' A' ' 117' ' ' VAL . . . -61.11 -41.38 99.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.554 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -33.24 73.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.117 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' A' ' 58' ' ' VAL . 4.8 tt -62.47 -56.83 14.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.478 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -56.42 -40.43 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -58.79 -43.11 90.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -39.65 88.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.553 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 120' ' ' LEU . 26.2 t -62.97 -43.71 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.86 -49.44 78.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.288 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.85 85.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 tt -70.1 -42.34 72.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.665 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -42.61 97.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.1 m -63.9 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.701 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.1 -41.67 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.73 HD13 HD22 ' A' ' 51' ' ' LEU . 7.5 tt -65.54 -47.6 75.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.722 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.43 80.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m -62.44 -37.54 86.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.644 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -61.21 -52.26 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.754 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -67.09 -30.77 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.59 -47.89 84.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -80.83 -32.47 35.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -71.4 -33.06 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.85 -39.87 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -30.59 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.05 -56.18 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.6 p -98.47 29.07 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.057 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 57.31 -174.48 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 m -145.89 -52.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.13 31.09 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -171.7 111.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.91 105.97 0.57 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' O ' ' CG ' ' A' ' 7' ' ' TRP . 68.7 Cg_exo -51.16 89.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.591 2.194 . . . . 0.0 112.385 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.412 ' CG ' ' O ' ' A' ' 6' ' ' PRO . 63.4 m95 -163.98 -177.96 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -113.91 -49.38 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -168.54 77.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -96.85 122.29 39.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -125.96 88.82 2.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.776 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -165.23 -41.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.5 tp -60.57 -42.93 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.028 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.6 p -63.19 -40.28 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.072 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -73.33 -30.94 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.26 -37.33 57.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.0 -45.55 86.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.6 -29.32 30.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.58 41.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.631 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.21 -34.06 70.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.933 0.397 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' O ' HG22 ' A' ' 25' ' ' ILE . 17.7 mttm -68.4 -48.5 64.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.466 ' HA ' HG22 ' A' ' 25' ' ' ILE . 48.7 t -64.96 -37.09 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.16 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -69.96 -51.94 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.388 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.08 -47.91 72.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.795 HD13 HG21 ' A' ' 61' ' ' THR . 1.3 tp -58.18 -36.95 59.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.14 -52.24 46.12 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.062 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 23' ' ' GLU . 56.8 t -57.43 -27.22 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.08 0.467 . . . . 0.0 109.978 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.821 ' HE2' HG21 ' A' ' 57' ' ' THR . 19.0 tttp -69.2 -54.86 12.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.052 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.92 -42.36 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.855 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -45.95 92.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.81 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.812 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.764 HD12 ' HG2' ' A' ' 54' ' ' GLU . 9.0 tt -63.42 -46.11 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.21 -40.63 90.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.06 87.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.05 -35.02 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.559 ' CD1' HD11 ' A' ' 51' ' ' LEU . 3.4 tt -60.08 -40.72 90.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -57.04 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.24 68.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.57 67.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.349 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -59.13 5.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.818 0.342 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.11 -26.6 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -58.13 -54.21 49.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 -36.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.483 ' HA ' HD21 ' A' ' 47' ' ' LEU . 15.7 t70 76.91 15.51 1.92 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.104 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -114.82 -42.38 3.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 110.369 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.76 83.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.772 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.0 pp -68.22 -32.85 73.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.446 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.645 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -51.78 66.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.627 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.964 HD22 HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -66.6 -40.67 88.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.569 179.629 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.17 84.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . . . -69.98 -30.15 70.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.241 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.764 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.96 -31.74 61.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.789 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.2 mm? -77.12 -34.9 56.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.86 -46.1 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.821 HG21 ' HE2' ' A' ' 28' ' ' LYS . 3.7 t -63.83 -51.1 66.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.599 HG23 HD21 ' A' ' 120' ' ' LEU . 11.7 p -57.69 -39.93 72.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' 58' ' ' VAL . 38.6 mttt -63.87 -39.64 94.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.432 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -38.13 77.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.983 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.795 HG21 HD13 ' A' ' 25' ' ' ILE . 1.4 t -71.56 -30.64 66.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.799 0.333 . . . . 0.0 110.968 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.642 HD22 HG13 ' A' ' 117' ' ' VAL . 24.2 mt -78.11 -34.28 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -36.3 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.432 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.12 65.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.693 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' LEU . 3.4 ttp -59.69 -51.06 71.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.816 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -39.13 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.1 -31.5 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -33.83 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -70.64 -56.98 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.75 96.52 5.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.74 -45.32 3.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.364 2.043 . . . . 0.0 112.389 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -160.45 -66.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.66 132.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.3 -177.73 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.63 137.99 36.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.51 121.56 0.58 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.538 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.05 122.59 46.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -108.75 96.67 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -120.72 -168.53 1.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 61.49 153.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.8 t -82.62 164.55 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.442 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 0.3 OUTLIER -179.01 -61.19 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 82' ' ' TYR . 28.1 Cg_endo -62.53 110.96 1.18 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.426 2.084 . . . . 0.0 112.215 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.5 p -60.31 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.71 -45.99 2.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.34 25.41 5.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.609 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 57.7 166.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.72 55.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 60.4 79.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 t -107.66 -31.78 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -70.79 -30.85 67.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.7 90.31 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.74 159.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.79 93.97 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.81 -179.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.583 2.189 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 152.4 34.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.6 -108.05 3.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.74 174.26 15.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.13 -53.45 14.29 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.09 135.56 51.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.19 -172.63 23.82 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 103' ' ' SER . 10.1 t -162.78 -46.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 102' ' ' THR . 1.1 m 60.03 107.46 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.768 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.4 -47.36 0.4 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.429 2.086 . . . . 0.0 112.447 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 1.9 pp -179.86 -177.74 0.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.23 164.71 20.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 87.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.612 2.208 . . . . 0.0 112.255 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 m -164.6 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . . . -81.37 -42.66 20.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.435 ' HG2' HD23 ' A' ' 69' ' ' LEU . 74.8 mtt180 -76.82 -42.22 41.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -60.41 -43.04 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 111' ' ' ILE . 52.0 p -63.77 -39.42 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -59.67 -52.62 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.33 -25.36 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.725 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.02 -46.58 70.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.748 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -68.65 -36.68 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.738 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 113' ' ' ALA . 43.4 t -59.03 -48.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.627 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.1 96.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.934 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.93 83.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 124' ' ' VAL . 8.5 tp -61.73 -53.47 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -35.89 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -65.38 -52.7 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.548 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -59.93 -44.6 94.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.453 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 120' ' ' LEU . 32.8 t -66.41 -34.79 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.768 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.16 48.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.302 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.16 93.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.674 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 127' ' ' LEU . 1.1 tm? -69.58 -33.55 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.58 ' OE2' HG12 ' A' ' 124' ' ' VAL . 3.8 mt-10 -70.64 -45.05 65.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -44.36 95.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -39.76 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.964 HD12 HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -61.87 -45.06 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.05 89.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.74 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.67 -58.19 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -61.01 -39.77 91.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -64.56 -37.45 87.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -67.1 -36.38 81.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -79.31 -35.69 40.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -38.39 88.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.03 -31.46 72.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -69.78 -52.73 22.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.88 92.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 m -60.18 -31.36 70.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -64.26 130.06 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.899 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.37 89.98 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.759 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -105.76 30.73 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -28.18 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.8 -59.78 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.725 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -42.49 -60.84 0.63 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.83 2.354 . . . . 0.0 112.831 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.424 ' HE1' ' CE1' ' A' ' 12' ' ' HIS . 3.6 m0 -111.63 136.34 50.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -75.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.754 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -88.9 -46.96 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -178.88 143.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 49.1 m -156.64 144.97 19.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER 82.67 -17.74 0.5 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.693 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.833 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -60.53 -33.57 54.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 15' ' ' SER . 10.5 p -62.9 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' HG13 ' A' ' 14' ' ' VAL . 58.4 p -76.01 -36.99 58.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.82 89.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.64 -33.49 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.674 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 t -69.65 -37.07 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.79 47.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.377 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.17 -48.04 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.599 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.4 mttm -60.0 -49.55 77.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.574 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.0 t -53.87 -39.81 66.0 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -47.74 85.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.71 -35.42 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.976 HD11 HG21 ' A' ' 61' ' ' THR . 25.9 mm -62.6 -42.83 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.28 31.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.367 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 24' ' ' ALA . 26.2 m -56.98 -27.44 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.09 0.471 . . . . 0.0 110.18 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HE2' HG21 ' A' ' 57' ' ' THR . 13.1 tttp -72.36 -55.02 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.022 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.21 -29.39 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.26 -50.31 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.326 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -66.7 -31.01 71.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.676 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.5 tt -66.45 -41.41 89.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.18 -42.43 79.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.94 -31.97 73.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -83.78 -38.54 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 127' ' ' LEU . 6.5 tt -59.12 -47.94 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -45.22 93.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.11 -49.35 34.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.579 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -59.91 -21.41 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.436 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -59.32 5.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 42' ' ' SER . 7.5 p90 -80.61 -29.65 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 28.2 t -73.74 -76.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.056 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.54 113.96 6.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HA ' HD21 ' A' ' 47' ' ' LEU . 3.1 m-20 -65.37 -18.57 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.207 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.95 -33.1 65.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.01 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.1 pp -64.05 -34.92 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.608 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -60.46 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.792 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.64 -51.15 68.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.9 m -59.35 -40.34 86.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.055 HD13 HD11 ' A' ' 131' ' ' LEU . 0.8 OUTLIER -63.8 -38.44 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.69 -56.38 22.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.07 82.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.112 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.98 93.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.713 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.708 HD11 ' CG1' ' A' ' 124' ' ' VAL . 1.2 mm? -67.06 -43.39 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.803 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -63.88 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.55 HG21 ' HE2' ' A' ' 28' ' ' LYS . 45.9 m -68.63 -56.95 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.645 HG22 HD23 ' A' ' 62' ' ' LEU . 6.2 p -62.88 -36.48 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -62.07 -38.84 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.271 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.88 -45.51 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.673 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.976 HG21 HD11 ' A' ' 25' ' ' ILE . 3.7 t -69.85 -27.26 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.713 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.9 ' CD2' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -66.01 -47.98 72.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 179.48 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -65.79 -38.89 90.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.574 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.412 ' CE ' HG22 ' A' ' 117' ' ' VAL . 4.8 ttp -59.94 -49.6 77.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.3 pt -68.35 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 67' ' ' LEU . 7.7 tt -66.97 -41.33 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -39.91 68.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.779 HD11 ' HB1' ' A' ' 113' ' ' ALA . 83.6 mt -66.21 -57.07 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -79.69 152.36 75.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.11 126.91 13.6 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.616 2.211 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.2 p -138.49 38.18 2.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -75.1 113.83 12.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.49 158.44 18.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 60.48 30.77 20.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.55 -123.02 24.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -143.34 -47.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.08 40.31 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.023 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 t -141.37 104.12 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.22 142.18 21.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.0 t -135.09 149.37 50.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.33 89.61 36.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.51 112.45 2.84 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.531 2.154 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.39 103.87 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.74 -46.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.62 -131.61 2.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -153.26 116.11 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 111.02 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -72.67 -64.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.98 34.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.1 p -58.49 -30.89 67.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.11 -35.63 80.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.07 -71.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.86 -54.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.34 134.54 19.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.01 -41.27 2.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.454 2.103 . . . . 0.0 112.271 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.73 -76.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.63 -30.28 8.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -55.8 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.05 164.33 27.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.92 -50.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.55 134.02 11.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.443 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 p -151.76 101.42 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.99 114.84 37.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.743 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.49 -26.69 40.26 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.339 2.026 . . . . 0.0 112.386 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.891 HD13 ' HB3' ' A' ' 109' ' ' ALA . 0.2 OUTLIER -67.03 127.47 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.956 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.445 ' HB ' ' CD ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -101.62 174.26 3.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.31 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.445 ' CD ' ' HB ' ' A' ' 106' ' ' THR . 15.6 Cg_exo -68.2 8.22 0.53 Allowed 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.698 2.266 . . . . 0.0 112.83 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -118.56 -29.84 5.32 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.891 ' HB3' HD13 ' A' ' 105' ' ' LEU . . . -70.24 -28.28 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.162 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.24 14.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 1.1 pp -64.74 -38.52 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 t -62.75 -40.32 96.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.945 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.92 -50.89 20.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.484 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.58 HD22 HD13 ' A' ' 69' ' ' LEU . 3.3 mm? -66.1 -38.31 87.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.282 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 111' ' ' ILE . 18.9 t-20 -65.61 -46.43 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.125 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -63.29 -36.89 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.24 . . . . 0.0 110.787 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 113' ' ' ALA . 58.2 t -60.24 -52.15 64.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.0 86.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.998 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -76.78 -29.11 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.9 HD23 ' CD2' ' A' ' 62' ' ' LEU . 6.9 tp -67.56 -52.38 39.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.946 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.531 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 3.9 ptm180 -55.74 -45.49 77.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.93 0.395 . . . . 0.0 110.022 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.11 96.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.702 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 120' ' ' LEU . 57.3 t -64.88 -35.99 76.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.493 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.03 -50.22 67.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.038 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -40.56 86.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.558 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 36' ' ' LEU . 8.5 tp -69.53 -36.66 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -50.26 70.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.602 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -38.82 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.558 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -63.43 -34.36 77.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.055 HD11 HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.03 -45.82 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.95 91.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.984 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 6.3 m -68.82 -35.34 76.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.656 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -61.37 -51.34 69.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -63.53 -36.36 83.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -70.7 -34.98 72.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.33 -46.43 40.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.37 -38.03 89.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.59 -31.95 60.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.791 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -66.57 -28.85 68.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.48 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.7 m -75.7 -37.04 59.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.89 94.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.291 -0.862 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -142.4 -47.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 70.29 -62.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.94 -149.13 0.42 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.159 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.11 89.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.562 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -79.79 1.38 9.27 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.707 2.271 . . . . 0.0 112.922 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.41 ' CE3' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -118.22 -175.73 2.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.947 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.0 -40.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.33 -55.15 15.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.27 81.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.74 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.61 -30.95 22.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.0 tp -60.95 -45.03 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.492 ' N ' HG23 ' A' ' 13' ' ' ILE . 12.7 p -65.81 -38.71 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 m -68.44 -31.81 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.59 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.65 -37.36 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.95 -34.72 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.18 -51.73 41.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.294 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.22 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.314 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 25' ' ' ILE . 51.6 mttt -58.41 -51.28 70.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -53.84 -46.29 71.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -55.69 -39.75 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.331 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -66.33 -37.2 84.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.902 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.612 HD12 HD11 ' A' ' 120' ' ' LEU . 47.5 mm -59.51 -48.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.722 ' O ' HD12 ' A' ' 30' ' ' LEU . . . -62.53 -52.38 49.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.509 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.41 HG22 ' HA ' ' A' ' 24' ' ' ALA . 27.3 m -58.05 -27.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 57' ' ' THR . 1.5 tptp -74.8 -53.91 8.29 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.989 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.2 mm? -57.81 -30.38 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -71.98 -50.29 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.438 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.28 69.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 127' ' ' LEU . 3.1 tt -70.11 -47.65 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.38 -49.55 77.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.68 -35.96 79.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.751 ' HG ' HD11 ' A' ' 47' ' ' LEU . 4.7 tt -65.0 -49.57 69.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.82 -41.07 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.98 -50.8 27.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.71 -16.93 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.601 0.239 . . . . 0.0 111.512 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.515 ' HE3' ' O ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -58.39 -59.17 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.666 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -50.4 12.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -73.1 86.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 61.15 113.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -73.89 -25.66 60.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.38 -43.19 71.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.85 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HG ' ' A' ' 36' ' ' LEU . 12.8 tp -61.91 -49.85 74.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.764 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -62.43 -45.65 92.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -59.79 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -58.18 -49.81 75.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.946 HD13 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -65.43 -30.55 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -56.53 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.733 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -32.9 65.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.289 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' CG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -62.81 -45.54 92.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.675 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 55' ' ' LEU . 3.4 mm? -72.76 -34.66 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.814 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.96 -47.33 78.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.759 HG21 ' HE2' ' A' ' 28' ' ' LYS . 12.7 t -70.29 -33.87 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.161 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.745 ' CG2' HD21 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -72.27 -34.62 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.723 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -71.7 -34.42 69.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.038 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.61 -42.81 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 58' ' ' VAL . 12.1 t -68.87 -36.77 78.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 117' ' ' VAL . 0.9 OUTLIER -64.43 -52.21 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 66' ' ' ILE . 40.8 mt-30 -58.84 -47.24 85.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.689 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.93 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.521 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.4 ttm -67.05 -48.92 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 63' ' ' GLN . 5.0 mt -64.62 -39.03 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -63.05 -45.93 89.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.796 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -32.19 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.636 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.909 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -62.05 -45.57 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -90.71 133.27 32.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.778 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.676 ' O ' HG23 ' A' ' 72' ' ' THR . 55.5 Cg_endo -69.98 -44.74 1.76 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.481 2.121 . . . . 0.0 112.272 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -176.57 106.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -49.66 46.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -139.3 149.21 43.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.57 -65.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.84 -118.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 60.26 102.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -106.6 -56.74 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.25 159.84 25.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.8 110.28 19.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -123.93 -43.02 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -81.01 110.69 18.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -73.19 122.1 7.76 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.458 2.105 . . . . 0.0 112.339 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 85' ' ' ALA . 11.6 t -90.45 -45.41 8.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 84' ' ' THR . . . 59.13 93.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.53 -172.51 15.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.57 -55.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -163.78 -71.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -134.92 25.6 3.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' ' 95' ' ' PRO . 2.7 m -75.61 -47.47 26.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -59.25 -29.26 67.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.19 -63.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.89 -54.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 94' ' ' VAL . 10.4 p -80.72 111.04 19.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.626 ' HA ' HG23 ' A' ' 90' ' ' THR . 65.5 Cg_endo -73.51 154.17 50.07 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.519 2.146 . . . . 0.0 112.256 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -153.15 150.53 29.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.63 169.33 18.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.588 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.7 m 60.17 106.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -121.13 -42.97 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 65.14 -77.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.825 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.7 -89.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -170.01 121.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.781 0.324 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.5 t -119.29 107.49 41.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.04 -56.19 2.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.422 2.082 . . . . 0.0 112.278 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.994 HD11 ' HB3' ' A' ' 109' ' ' ALA . 0.6 OUTLIER -165.35 -176.78 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.1 p -70.97 157.76 89.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.76 91.51 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.796 2.331 . . . . 0.0 112.215 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.1 t -164.12 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.994 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -74.72 -41.82 59.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -49.0 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.44 -43.73 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.5 t -58.9 -51.51 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.909 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -56.7 -56.27 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -70.94 -30.63 66.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 29.8 mm -74.17 -48.42 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.86 HG23 HD12 ' A' ' 62' ' ' LEU . 8.3 p -60.25 -42.39 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.041 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.421 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -65.78 -47.73 73.24 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.341 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -35.14 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 124' ' ' VAL . 4.4 tt -67.63 -52.19 41.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.758 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.01 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -60.21 -51.91 67.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -40.47 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 120' ' ' LEU . 24.7 t -67.7 -35.83 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.29 99.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.14 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.66 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 32' ' ' LEU . 6.8 tt -69.46 -49.8 51.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.6 t -69.8 -35.32 74.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.383 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -67.73 -41.58 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.946 HD13 HD13 ' A' ' 51' ' ' LEU . 1.2 tt -60.96 -51.16 70.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.2 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.987 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.9 p -59.94 -38.04 81.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.2 -50.28 74.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -65.13 -32.31 73.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.66 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -63.52 -45.31 91.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.635 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.18 95.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.998 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -63.87 -38.46 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -33.6 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.736 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.43 -29.28 68.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.3 -30.96 65.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.73 -42.04 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.16 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.896 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 6.5 m -99.46 -59.37 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.735 0.303 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 69.45 -64.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.809 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 2' ' ' SER . 32.8 p90 -52.96 -33.77 52.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' HA2' ' HD3' ' A' ' 6' ' ' PRO . . . 63.88 137.46 0.01 OUTLIER Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.455 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA2' ' A' ' 5' ' ' GLY . 6.3 Cg_exo -77.65 56.9 5.78 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.727 2.284 . . . . 0.0 112.156 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -104.16 110.56 22.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tttt 59.73 72.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -106.62 -35.74 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -142.57 176.68 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 90.8 p -151.77 146.56 25.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 11' ' ' SER . 5.5 t60 84.71 -36.35 0.05 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.41 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 13' ' ' ILE . 7.5 tp -69.79 65.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.451 . . . . 0.0 111.052 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -112.54 -31.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -66.71 -32.7 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.56 ' CB ' HD11 ' A' ' 13' ' ' ILE . . . -66.41 -40.99 89.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.41 -44.56 92.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -69.03 -30.85 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.19 -51.68 26.58 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.414 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -68.0 -46.33 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.359 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 25' ' ' ILE . 10.3 mttt -57.6 -51.32 70.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -54.66 -44.23 73.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.7 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.41 -36.51 84.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.463 HD12 HD11 ' A' ' 120' ' ' LEU . 43.5 mm -59.35 -50.78 78.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.17 -52.11 54.75 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.534 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.4 ' HA ' HD12 ' A' ' 30' ' ' LEU . 59.3 t -56.63 -27.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.052 0.454 . . . . 0.0 110.208 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.774 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.5 OUTLIER -69.75 -54.93 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.13 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.4 mm? -58.37 -30.89 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 27' ' ' VAL . 7.4 mt -70.0 -50.24 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -36.76 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.676 HD12 ' HG2' ' A' ' 54' ' ' GLU . 6.4 tt -65.06 -49.51 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.81 -37.12 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.53 -41.87 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -81.18 -30.42 34.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD13 HD21 ' A' ' 127' ' ' LEU . 4.1 tt -66.41 -40.36 89.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -51.95 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.5 -44.42 97.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.61 -19.74 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.396 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -56.31 17.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.179 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.27 -52.71 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.3 m -90.63 117.52 29.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 57.32 101.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -92.39 47.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -130.66 -44.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -32.92 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 131' ' ' LEU . 4.2 pp -67.31 -39.7 85.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.527 ' N ' HD12 ' A' ' 47' ' ' LEU . 39.6 m-85 -64.45 -45.39 87.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.694 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -49.75 75.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.9 t -58.81 -37.97 77.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.748 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 47' ' ' LEU . 2.6 mm? -64.06 -42.79 96.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -58.43 -45.93 87.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.646 ' O ' HG22 ' A' ' 57' ' ' THR . . . -68.33 -29.37 73.12 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.29 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.676 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -78.12 -32.46 50.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.935 0.398 . . . . 0.0 110.723 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.1 mm? -75.8 -34.93 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -73.26 -47.45 42.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.774 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.2 t -60.03 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.634 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.629 ' O ' HG22 ' A' ' 61' ' ' THR . 9.2 p -60.83 -39.84 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.642 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.067 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.51 -43.19 77.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.609 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 58' ' ' VAL . 5.3 t -71.17 -34.34 70.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 120' ' ' LEU . 2.9 mm? -63.16 -49.63 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.64 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -43.97 97.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.74 94.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.523 ' CE ' HG22 ' A' ' 117' ' ' VAL . 3.1 ttp -60.28 -44.55 95.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.669 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.0 mt -71.01 -29.89 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -56.24 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD11 ' HB1' ' A' ' 113' ' ' ALA . 12.1 mt -67.68 -48.89 65.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.39 166.45 23.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.44 172.42 4.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.556 2.17 . . . . 0.0 112.239 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 73' ' ' LYS . 5.0 t -58.19 -48.49 80.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' N ' HG23 ' A' ' 72' ' ' THR . 0.0 OUTLIER -168.58 123.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 67.87 -69.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.27 -176.66 5.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.157 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.5 -130.79 3.51 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -165.55 -63.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.99 79.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 p -94.97 109.82 21.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.71 -46.98 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.2 m -78.3 121.65 24.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -76.36 160.16 78.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.2 95.99 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.578 2.185 . . . . 0.0 112.186 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.35 168.66 16.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.04 118.64 14.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.68 157.05 25.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.549 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' HB3' ' HB3' ' A' ' 91' ' ' GLU . . . -69.43 -37.68 77.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.545 ' H ' ' HB3' ' A' ' 92' ' ' ALA . 6.4 mt-30 61.07 42.75 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 90' ' ' THR . 0.3 OUTLIER -165.71 77.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 2.2 m 80.57 -51.32 0.33 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 31.1 tt0 -61.64 -47.07 87.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.545 ' HB3' ' H ' ' A' ' 88' ' ' GLN . . . -105.75 -176.16 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.82 159.58 14.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.421 HG13 ' HD2' ' A' ' 95' ' ' PRO . 22.0 t 63.94 136.27 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.421 ' HD2' HG13 ' A' ' 94' ' ' VAL . 31.8 Cg_endo -63.89 -50.32 3.2 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.481 2.121 . . . . 0.0 112.333 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.3 -45.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 162.74 -71.78 0.2 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.481 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 p -154.51 107.65 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.61 -153.5 16.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.621 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -163.39 148.55 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.366 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -100.39 34.07 5.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.13 -41.81 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 4.5 p -98.86 127.89 33.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.774 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 103' ' ' SER . 38.4 Cg_exo -60.05 -28.11 86.33 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.423 2.082 . . . . 0.0 112.167 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.566 HD22 ' CB ' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -147.77 157.93 43.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.853 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.433 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -57.07 150.57 39.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.661 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.32 82.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' THR . 0.9 OUTLIER -160.8 -44.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.566 ' CB ' HD22 ' A' ' 105' ' ' LEU . . . -73.04 -43.32 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -59.45 -48.99 79.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -63.23 -45.72 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 t -60.53 -45.18 94.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.873 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.47 -45.25 95.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.54 -24.74 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -70.66 -46.56 63.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.019 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.831 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -69.58 -37.25 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.1 t -59.89 -53.32 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.539 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.13 99.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.002 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -36.82 83.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 0.0 110.507 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 62' ' ' LEU . 5.2 tt -66.01 -56.83 9.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -67.85 -42.22 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.453 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -66.07 -46.75 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.428 HG23 HD23 ' A' ' 120' ' ' LEU . 38.5 t -58.65 -41.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.61 -40.81 97.85 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.312 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.28 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 32' ' ' LEU . 5.8 tt -68.43 -47.11 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.01 -47.64 85.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -61.71 -35.16 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.668 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -44.34 92.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.604 HD11 HD13 ' A' ' 47' ' ' LEU . 4.7 tt -60.57 -45.37 94.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.424 ' O ' ' ND2' ' A' ' 136' ' ' ASN . . . -61.79 -35.04 77.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.06 -51.1 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.6 m -63.12 -37.6 87.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.723 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.97 -52.98 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 132' ' ' ALA . 3.1 m-80 -63.6 -33.58 75.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.777 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -82.46 -29.61 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -76.86 -33.23 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.82 -44.42 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -64.42 -31.48 72.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.72 -31.25 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.3 m -87.87 -45.64 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.09 139.8 29.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 23.0 tttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.98 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -94.04 -61.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 68.94 -67.02 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -102.8 -51.88 3.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.07 98.49 2.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.435 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.64 -15.5 50.38 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.545 2.164 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -57.98 144.97 37.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.63 79.88 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -148.85 29.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.7 159.73 40.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.56 26.62 13.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -141.91 -44.23 0.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.2 tp -60.65 -43.74 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.5 p -60.26 -33.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -81.3 -36.11 30.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.676 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.14 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.96 -49.35 78.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.746 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -30.52 47.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.86 30.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.35 -42.0 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.398 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -60.04 -51.33 70.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.11 -38.25 79.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -59.17 -40.64 86.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.609 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -40.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 120' ' ' LEU . 39.8 mm -61.4 -36.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -52.5 10.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.51 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -56.93 -27.19 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.683 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -71.93 -50.9 25.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.022 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.1 mm? -60.17 -36.45 77.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -50.24 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.785 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.02 -29.42 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.757 HD13 ' HG3' ' A' ' 54' ' ' GLU . 40.9 tp -73.82 -45.89 48.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.19 -44.49 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.1 -41.86 97.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -37.4 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 HD13 ' A' ' 47' ' ' LEU . 28.9 tp -67.15 -37.46 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -55.92 27.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.5 -47.73 84.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.43 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 111.068 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -80.47 -30.99 37.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -70.56 -72.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -117.84 -144.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.359 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -161.07 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.294 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.64 -29.71 63.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -50.59 73.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.306 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD13 HD11 ' A' ' 36' ' ' LEU . 2.1 pp -66.42 -33.31 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.82 -50.34 73.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.399 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -66.4 -48.94 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -56.47 -40.61 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.784 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.981 HD11 HD21 ' A' ' 127' ' ' LEU . 1.8 mm? -62.7 -43.63 98.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.374 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -37.75 72.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 109.966 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.73 -43.7 95.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.174 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.757 ' HG3' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -63.78 -29.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.328 . . . . 0.0 110.687 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.4 mm? -73.46 -37.64 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.8 -47.54 45.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.683 HG21 ' HE2' ' A' ' 28' ' ' LYS . 9.6 t -61.04 -46.9 88.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG22 HD23 ' A' ' 62' ' ' LEU . 9.9 p -63.72 -38.29 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.788 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -36.94 79.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 110.325 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.81 -43.34 75.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.83 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.676 HG21 HD11 ' A' ' 25' ' ' ILE . 2.4 t -69.94 -28.04 65.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.678 HD23 HG22 ' A' ' 58' ' ' VAL . 2.9 mm? -70.39 -43.31 70.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -70.97 -31.37 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -55.97 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptm -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.963 HD11 HG11 ' A' ' 117' ' ' VAL . 29.0 mm -65.35 -34.34 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.25 -43.63 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.756 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.6 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.795 HD11 ' HB1' ' A' ' 113' ' ' ALA . 4.0 mt -69.74 -59.86 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -77.57 140.65 64.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.12 161.9 2.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.5 t -88.16 -33.44 18.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.54 -51.49 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.11 167.4 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.19 -71.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.98 -47.34 0.89 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -143.72 106.51 4.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.38 31.33 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -129.38 126.75 39.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.29 -46.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.2 m -76.47 65.71 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.442 ' CD2' ' HD2' ' A' ' 83' ' ' PRO . 0.2 OUTLIER -141.48 128.92 11.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.442 ' HD2' ' CD2' ' A' ' 82' ' ' TYR . 51.7 Cg_exo -52.95 100.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.492 2.128 . . . . 0.0 112.296 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.51 -177.6 3.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.26 -75.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.25 -91.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.83 113.89 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.31 -52.69 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.59 83.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.27 -31.15 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.2 -36.13 76.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.05 165.07 12.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.58 93.07 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 94' ' ' VAL . 10.4 p -145.87 110.13 4.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.58 143.27 28.8 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.462 2.108 . . . . 0.0 112.418 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -90.27 -54.97 3.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.34 40.88 2.32 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.403 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.12 30.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.746 0.308 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.78 126.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -122.89 101.44 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.45 135.52 2.76 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.504 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 103' ' ' SER . 5.2 t -164.82 -47.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.405 ' N ' HG23 ' A' ' 102' ' ' THR . 12.2 t -58.39 109.64 1.99 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.3 -45.54 0.83 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.407 2.071 . . . . 0.0 112.311 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 109' ' ' ALA . 2.4 pp -169.15 -177.86 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 105' ' ' LEU . 2.0 t -64.04 141.98 98.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.956 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.28 88.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.512 2.142 . . . . 0.0 112.234 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.455 ' CA ' HG22 ' A' ' 111' ' ' ILE . 1.4 m -164.86 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.608 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -76.54 -42.58 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.481 ' HD2' HD23 ' A' ' 69' ' ' LEU . 26.3 mmt85 -79.22 -44.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.76 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -61.96 -40.06 85.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.5 p -64.37 -44.08 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.896 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.3 -46.41 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 69' ' ' LEU . 3.7 mm? -68.29 -31.19 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -65.66 -46.6 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -67.56 -36.92 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.963 HG11 HD11 ' A' ' 66' ' ' ILE . 57.9 t -57.94 -53.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.52 99.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.873 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.25 -31.91 71.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.008 0.432 . . . . 0.0 110.391 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 25' ' ' ILE . 6.1 tt -67.89 -55.54 12.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.539 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -37.82 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.614 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -41.37 98.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.385 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -49.66 74.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.1 t -59.48 -38.93 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.45 96.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.103 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.02 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.736 0.303 . . . . 0.0 110.711 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.981 HD21 HD11 ' A' ' 51' ' ' LEU . 8.1 tt -63.44 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.6 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -63.77 -36.33 83.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.473 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.98 -45.29 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.502 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.49 HD12 ' HG ' ' A' ' 51' ' ' LEU . 2.5 tt -61.61 -44.91 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.02 92.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.78 98.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 78.1 m -67.95 -36.24 79.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.647 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -60.53 -48.66 80.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.644 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -67.11 -32.31 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -38.82 82.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.719 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.16 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.04 -31.55 72.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.76 -31.6 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.89 -30.81 45.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.8 p -74.36 -41.88 60.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.16 -76.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 36.8 mttt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.867 -179.911 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.6 93.24 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -60.37 -31.72 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -99.46 84.77 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.51 147.21 17.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.84 103.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.581 2.187 . . . . 0.0 112.317 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.97 94.19 9.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.86 -65.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -171.25 85.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.594 ' HB2' HG22 ' A' ' 13' ' ' ILE . 7.7 m-20 -92.69 -32.3 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m 61.86 30.29 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.07 -48.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.749 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.781 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -67.46 -27.94 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.006 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.76 -34.4 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -32.52 74.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.812 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.52 72.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.16 -41.39 88.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -68.97 -30.36 46.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.58 22.86 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.01 -42.66 98.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HD13 ' A' ' 25' ' ' ILE . 71.0 mttt -63.69 -47.13 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.813 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.59 -32.64 69.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.01 -46.25 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -69.18 -38.41 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.479 HD11 HG21 ' A' ' 61' ' ' THR . 1.4 mp -60.74 -45.75 97.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -52.13 42.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.509 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 24' ' ' ALA . 24.5 m -56.53 -27.3 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.229 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.71 ' HE2' HG21 ' A' ' 57' ' ' THR . 16.1 tttp -69.73 -49.46 52.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.85 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.16 -39.09 85.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.789 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.1 -48.96 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.96 -32.78 73.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD12 HD21 ' A' ' 127' ' ' LEU . 2.9 tm? -63.26 -52.79 60.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.99 -42.46 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -39.86 95.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.785 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.82 -33.31 60.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 131' ' ' LEU . 1.5 tp -65.46 -37.61 87.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.71 -51.03 71.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.0 -44.13 69.15 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.409 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -59.65 -29.24 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.468 ' HE1' ' HB2' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -63.3 -52.41 62.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.43 -30.54 37.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 m -61.04 -76.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -137.07 -94.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.05 -34.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.698 0.285 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.78 61.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.99 70.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.276 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 2.1 pp -71.97 -33.41 68.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -44.71 96.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -69.8 -47.17 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -59.96 -40.57 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.851 HD22 HD13 ' A' ' 131' ' ' LEU . 10.8 tp -64.77 -42.98 94.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -59.46 -51.2 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . . . -63.52 -29.46 74.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.505 ' HG2' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.01 -37.65 78.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 110.928 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.6 mm? -73.94 -34.9 64.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -74.15 -47.59 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.75 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.71 HG21 ' HE2' ' A' ' 28' ' ' LYS . 10.1 t -61.43 -46.74 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 61' ' ' THR . 9.9 p -64.34 -41.16 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.563 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 58' ' ' VAL . 28.2 mttm -57.95 -34.0 69.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.105 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.34 -47.21 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.878 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 58' ' ' VAL . 4.2 t -66.34 -37.52 85.53 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.922 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 120' ' ' LEU . 3.0 mm? -62.81 -45.97 90.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.63 98.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.26 97.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.195 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.65 ' CE ' HG22 ' A' ' 117' ' ' VAL . 9.1 ttp -60.7 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.9 mm -61.98 -29.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.91 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.69 -30.42 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.021 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.842 HD11 ' HB1' ' A' ' 113' ' ' ALA . 13.8 mt -72.2 -49.75 33.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.81 96.86 7.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.7 ' O ' HG23 ' A' ' 72' ' ' THR . 55.5 Cg_endo -69.86 128.28 15.72 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.466 2.111 . . . . 0.0 112.308 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -178.22 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.772 -179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -97.86 172.17 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -106.21 163.52 12.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.93 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.42 -117.8 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.435 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -166.7 -55.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.26 169.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.6 p -133.87 145.68 49.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . 67.29 -71.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.9 m -113.1 136.7 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' N ' ' CD ' ' A' ' 83' ' ' PRO . 12.5 m-85 -82.58 -45.06 0.94 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.366 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 82' ' ' TYR . 38.9 Cg_exo -60.38 137.41 74.23 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.27 1.98 . . . . 0.0 112.172 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 83' ' ' PRO . 17.4 p -159.07 131.76 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 63.38 141.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.46 72.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.58 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.13 147.13 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -112.19 44.0 1.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -106.9 -31.14 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 m -158.76 -43.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.74 -36.33 74.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.983 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.87 71.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.3 mt 61.15 50.93 4.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.4 m -146.45 135.84 11.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.87 -178.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.452 2.101 . . . . 0.0 112.257 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -109.39 157.48 18.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.806 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.43 144.25 10.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -110.95 174.75 5.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.81 -166.8 53.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.515 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -127.42 162.01 27.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -81.49 -116.73 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 82.8 p -141.33 95.61 2.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.891 0.377 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.61 153.68 0.11 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.563 ' HB2' HD23 ' A' ' 105' ' ' LEU . 33.3 Cg_endo -64.99 -51.79 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.563 2.176 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 109' ' ' ALA . 0.6 OUTLIER -164.4 -179.23 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 44.3 p -63.13 154.49 77.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 58.8 Cg_endo -71.79 92.49 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.625 2.217 . . . . 0.0 112.383 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.08 -42.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.759 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -77.9 -27.78 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.276 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -71.9 -49.17 40.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.7 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.239 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.0 m -64.06 -36.56 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.9 -51.59 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.321 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.16 -37.92 81.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.78 -46.51 75.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.238 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.789 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -63.9 -37.71 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.065 -179.773 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 113' ' ' ALA . 88.4 t -60.57 -56.96 14.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.63 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.9 92.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.108 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.98 -33.31 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.613 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 62' ' ' LEU . 5.6 tt -70.94 -57.05 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.73 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -35.29 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -53.31 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.46 -32.34 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.64 -47.32 78.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.222 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.71 71.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.349 . . . . 0.0 110.829 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 127' ' ' LEU . 2.7 tm? -63.92 -49.68 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.813 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.79 -41.81 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.2 p -61.51 -38.65 88.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.851 HD13 HD22 ' A' ' 51' ' ' LEU . 7.9 tt -60.69 -41.44 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.43 81.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.54 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.15 -49.78 53.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -36.62 77.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -67.23 -51.52 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -61.24 -43.47 98.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.699 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.468 ' HB2' ' HE1' ' A' ' 40' ' ' MET . . . -62.1 -40.89 97.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.98 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -61.95 -38.78 89.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.94 15.34 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.245 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -120.78 -39.24 2.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.76 69.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -33.92 37.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -85.38 -52.1 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.963 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.51 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.6 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 18' ' ' VAL . 12.5 p -69.79 -31.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.823 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.0 -27.87 43.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.476 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.26 -35.62 27.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -33.4 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.797 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 14' ' ' VAL . 39.3 t -76.32 -32.05 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -52.07 37.19 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.553 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -44.25 72.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.342 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 25' ' ' ILE . 61.0 mttm -59.44 -51.04 71.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.52 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.72 -49.1 68.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -39.12 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.118 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.45 -37.05 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.869 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 21' ' ' LYS . 15.0 mm -58.67 -51.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.54 -52.05 51.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.88 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 24' ' ' ALA . 29.9 m -56.29 -27.04 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.889 0.376 . . . . 0.0 110.503 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.779 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -70.05 -55.06 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.72 -29.38 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -50.28 47.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -68.22 -37.14 80.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -51.8 53.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -57.37 -51.29 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -36.48 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -28.29 46.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.593 HD11 HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -66.91 -54.24 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.02 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -50.93 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.68 84.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.598 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.778 ' HB1' ' HB3' ' A' ' 46' ' ' ALA . . . -74.85 -19.96 59.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.691 0.282 . . . . 0.0 111.449 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -58.69 6.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.38 -1.63 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.466 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -85.07 -76.22 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.298 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -132.71 3.86 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.617 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.822 ' HA ' HD21 ' A' ' 47' ' ' LEU . 5.8 p-10 43.62 29.9 0.31 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.488 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 -35.77 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.778 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . . . -58.69 -34.27 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.088 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.822 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -72.8 -31.64 64.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.804 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.93 -48.33 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -66.24 -41.88 89.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -41.57 97.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.715 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 131' ' ' LEU . 1.2 tp -63.2 -43.42 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.07 -51.64 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.607 ' O ' HG22 ' A' ' 57' ' ' THR . . . -69.25 -29.34 72.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.42 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -33.35 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.721 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.3 mm? -75.09 -34.83 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.02 -47.63 50.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 0.0 110.809 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.779 HG21 ' HE2' ' A' ' 28' ' ' LYS . 6.5 t -62.51 -48.1 81.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.735 HG22 HD23 ' A' ' 62' ' ' LEU . 6.1 p -59.01 -42.44 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -58.33 -39.58 79.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -60.52 -45.55 93.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.557 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.681 HG22 ' O ' ' A' ' 58' ' ' VAL . 11.9 t -71.07 -31.86 68.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.735 HD23 HG22 ' A' ' 58' ' ' VAL . 1.3 mm? -70.92 -33.92 71.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.636 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' ' 66' ' ' ILE . 51.3 tt0 -71.26 -47.92 54.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 ttp -69.75 -51.47 33.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.835 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -61.66 -35.16 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.63 -42.95 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.47 -29.69 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.884 HD21 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -80.92 -29.89 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.61 -31.61 28.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.09 -49.1 79.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.3 mp -66.55 -43.83 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.9 t -58.92 -47.4 85.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.884 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -57.44 -54.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -23.13 67.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.713 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.38 -46.76 69.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 113' ' ' ALA . 2.1 tp -69.47 -36.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 113' ' ' ALA . 53.9 t -58.61 -50.94 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.617 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.03 92.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.011 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.18 -32.67 73.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 62' ' ' LEU . 5.7 tt -69.93 -56.89 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.446 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -31.2 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -44.75 74.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.572 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -39.19 93.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.775 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 120' ' ' LEU . 46.0 t -64.42 -43.09 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.2 92.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.339 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.87 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.973 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.605 ' CD2' HD11 ' A' ' 51' ' ' LEU . 8.0 tt -66.13 -41.97 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -43.63 98.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -41.55 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.765 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 51' ' ' LEU . 5.3 tt -66.45 -45.98 77.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.85 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.72 81.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.81 -43.78 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.042 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.486 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.4 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 13' ' ' ILE . 12.1 p -59.41 -41.57 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.432 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -65.34 -30.8 71.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.49 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -58.89 -48.43 81.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.3 -33.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.48 -51.62 52.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -38.45 90.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.581 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -70.6 -37.43 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.755 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 25' ' ' ILE . 37.0 t -65.29 -35.54 81.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -48.47 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -69.77 -47.17 63.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.397 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 21' ' ' LYS . 1.7 tp -58.43 -41.08 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.379 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -66.94 -52.17 34.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.633 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 24' ' ' ALA . 9.0 p -56.72 -27.1 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.453 . . . . 0.0 110.274 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 1.045 ' HE2' HG21 ' A' ' 57' ' ' THR . 30.2 tttp -72.89 -54.91 7.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.051 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -58.73 -38.9 79.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.07 -45.72 84.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -40.2 96.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.679 HD11 HD12 ' A' ' 51' ' ' LEU . 13.1 tp -62.61 -38.9 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.614 ' HG2' HD21 ' A' ' 127' ' ' LEU . 0.9 OUTLIER -64.04 -45.42 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -38.65 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.49 -31.33 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 47' ' ' LEU . 4.8 tp -66.88 -50.29 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -49.68 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.46 -42.87 97.37 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.73 -24.6 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.742 0.306 . . . . 0.0 111.223 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -54.24 43.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.064 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.48 -33.45 36.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -70.75 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -150.18 117.55 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.779 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.831 ' HA ' HD21 ' A' ' 47' ' ' LEU . 10.8 p-10 -84.47 52.96 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.62 -45.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.35 79.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.831 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -63.96 -41.67 97.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.614 ' CE1' HD11 ' A' ' 131' ' ' LEU . 39.8 m-85 -60.3 -50.25 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.62 -42.77 86.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -60.84 -43.92 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 32' ' ' LEU . 1.9 mp -63.1 -37.44 87.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.724 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -55.01 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.688 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.77 -33.24 85.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.235 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.83 ' O ' HG22 ' A' ' 57' ' ' THR . 0.7 OUTLIER -68.28 -59.83 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.2 mm? -53.83 -36.95 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 111.158 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 1.045 HG21 ' HE2' ' A' ' 28' ' ' LYS . 4.2 t -66.83 -30.8 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -73.26 -34.82 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.472 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.46 -46.16 77.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.313 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.29 -48.08 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.171 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 58' ' ' VAL . 4.0 t -59.17 -42.61 91.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.82 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.03 HD21 HD23 ' A' ' 120' ' ' LEU . 1.9 mm? -61.21 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.362 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.98 -39.5 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.96 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.482 ' CE ' HG22 ' A' ' 117' ' ' VAL . 7.0 ttp -60.19 -49.32 78.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.7 mm -64.36 -42.1 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -41.52 93.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -37.62 64.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.625 HD11 ' CB ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -61.57 -51.23 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.677 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.795 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.88 0.371 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.59 -36.7 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.07 -47.6 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -59.89 -43.38 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 111' ' ' ILE . 4.6 m -65.23 -35.74 81.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.698 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.56 -57.28 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.19 -28.57 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -69.3 -46.54 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.796 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -71.07 -36.92 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 113' ' ' ALA . 46.8 t -58.1 -54.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.715 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.92 -41.66 99.67 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.072 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.554 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 1.03 HD23 HD21 ' A' ' 62' ' ' LEU . 12.1 tp -68.32 -52.13 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.623 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -59.3 -32.59 70.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.742 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.33 -42.43 75.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.769 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.33 -54.68 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.579 HG11 HG11 ' A' ' 58' ' ' VAL . 27.4 m -64.39 -37.12 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.06 -35.95 92.64 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.155 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.793 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -63.75 -49.72 71.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -63.26 -40.6 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.0 t -60.25 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.406 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -33.94 75.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' A' ' 48' ' ' PHE . 2.6 tm? -62.76 -44.4 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.7 88.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 67.4 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.727 179.8 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.553 0.216 . . . . 0.0 111.429 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.1 p -48.29 -27.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.405 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.75 -32.49 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -39.58 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.07 -44.55 94.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.785 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 14' ' ' VAL . 30.1 t -64.06 -34.36 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.17 -51.66 42.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.389 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.59 -39.81 94.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.621 ' O ' HD13 ' A' ' 25' ' ' ILE . 19.3 mttt -66.25 -40.96 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -62.81 -37.68 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.83 -44.33 85.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.716 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -70.58 -39.75 73.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.674 HD11 HG21 ' A' ' 61' ' ' THR . 1.4 mp -60.72 -44.53 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.27 -52.27 42.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 24' ' ' ALA . 23.8 m -56.91 -27.28 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.091 0.472 . . . . 0.0 110.125 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -69.52 -46.52 66.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.748 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.2 mm? -62.34 -36.66 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.41 -50.0 71.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.47 -29.91 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.774 HD21 HD12 ' A' ' 51' ' ' LEU . 1.1 tt -70.48 -52.25 23.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.04 -44.17 94.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.33 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -82.2 -29.79 31.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 131' ' ' LEU . 1.6 tt -66.52 -54.2 26.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.37 -39.14 82.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.12 -52.37 18.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.15 -21.55 66.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.418 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.75 7.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.281 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -80.56 -30.32 37.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -76.52 -75.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -129.56 104.98 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.402 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -66.04 -14.03 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.12 -29.7 19.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.782 0.325 . . . . 0.0 111.034 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.36 -31.29 63.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -67.42 -50.27 60.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.776 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -38.74 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 12.5 t -63.92 -45.91 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.814 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.774 HD12 HD21 ' A' ' 32' ' ' LEU . 2.3 tp -62.62 -41.2 98.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -34.36 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 110.019 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.57 -36.27 82.96 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.073 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HA ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -72.66 -29.74 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.9 mm? -72.02 -40.48 68.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.44 -47.4 60.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 54' ' ' GLU . 12.5 t -62.96 -46.79 86.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.696 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.665 ' CG2' HD21 ' A' ' 120' ' ' LEU . 6.0 p -64.91 -37.58 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -34.94 76.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.153 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -69.2 -45.24 70.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.674 HG21 HD11 ' A' ' 25' ' ' ILE . 1.3 t -64.61 -33.96 77.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.837 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.995 HD11 HD22 ' A' ' 120' ' ' LEU . 8.4 mt -76.02 -32.41 59.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.03 -36.39 82.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.378 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.55 61.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 ttp -62.04 -50.36 72.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 67' ' ' LEU . 4.6 tp -59.82 -44.71 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.598 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -63.36 -34.53 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.827 HD11 ' HB1' ' A' ' 113' ' ' ALA . 11.4 mt -74.38 -34.03 63.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.785 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.79 0.328 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.97 -28.88 32.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.44 -48.38 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 pp -55.35 -40.61 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.5 t -63.81 -34.68 78.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 0.0 110.755 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.894 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.76 -52.75 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.406 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -40.18 81.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.219 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -63.32 -46.5 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.776 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -65.25 -36.71 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.124 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.975 HG13 HD22 ' A' ' 62' ' ' LEU . 88.8 t -58.95 -52.06 65.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.726 0.298 . . . . 0.0 110.534 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.88 -46.25 92.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.852 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -36.01 82.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 110.309 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.995 HD22 HD11 ' A' ' 62' ' ' LEU . 6.7 tt -61.71 -56.98 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -32.48 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -38.9 91.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.724 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -54.88 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.13 -39.35 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.593 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.38 96.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.79 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.77 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.462 HD12 HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -59.1 -41.71 88.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.42 179.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.85 -48.85 67.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.598 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -44.4 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.734 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -38.07 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 51' ' ' LEU . 7.0 tt -66.12 -40.62 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.46 86.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.46 94.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.798 0.332 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 18' ' ' VAL . 13.6 p -56.85 -32.77 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -61.23 -31.76 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.61 -48.19 56.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.78 -48.67 79.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 14' ' ' VAL . 28.2 t -67.63 -30.24 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -51.68 30.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.716 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' HD13 ' A' ' 25' ' ' ILE . 36.6 mttt -69.6 -46.7 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.41 -37.79 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -41.59 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.54 74.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.496 HD13 ' O ' ' A' ' 21' ' ' LYS . 1.4 mp -60.55 -46.56 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.11 -52.03 47.99 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.597 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -56.67 -27.19 25.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 0.0 110.218 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.691 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.4 OUTLIER -68.29 -54.09 19.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.015 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.0 mm? -58.87 -31.15 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.67 -50.33 18.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -30.38 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD21 ' HG ' ' A' ' 51' ' ' LEU . 4.4 tt -72.6 -52.99 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -61.27 -42.78 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.99 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.69 -35.03 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -81.57 -28.34 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.7 tt -68.94 -39.59 79.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -52.21 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.02 -44.7 60.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.513 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -58.3 -26.46 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.209 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -56.55 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.44 -30.94 37.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -68.36 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -156.79 119.16 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.61 -23.46 67.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -31.56 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -51.16 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.0 pp -71.21 -31.94 68.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.23 -49.01 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -65.36 -47.36 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -45.47 91.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.711 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -66.82 -33.76 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -58.79 -50.24 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.644 ' O ' HG22 ' A' ' 57' ' ' THR . . . -74.74 -29.13 61.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.185 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.35 79.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.963 0.411 . . . . 0.0 110.662 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.788 HD11 HG11 ' A' ' 124' ' ' VAL . 1.3 mm? -78.16 -36.02 48.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.631 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -66.79 -44.31 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.72 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.691 HG21 ' HE2' ' A' ' 28' ' ' LYS . 8.2 t -68.13 -45.46 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.796 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.538 ' HA ' HG22 ' A' ' 61' ' ' THR . 0.3 OUTLIER -62.25 -34.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.769 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -66.67 -45.46 78.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.434 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.44 -49.28 56.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.235 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.661 HG23 HD22 ' A' ' 62' ' ' LEU . 5.2 t -56.59 -45.15 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.107 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.91 ' CD1' HG22 ' A' ' 117' ' ' VAL . 4.1 mm? -67.94 -34.41 76.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.78 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -41.2 99.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.551 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.8 -39.08 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.852 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.564 ' HG2' HD11 ' A' ' 69' ' ' LEU . 3.8 ttp -64.54 -51.4 63.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.766 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tt -59.27 -36.03 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -38.14 80.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.583 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -76.62 -26.64 55.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.987 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 65' ' ' MET . 12.6 mt -81.34 -25.01 36.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.342 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.259 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.768 0.318 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.2 -35.85 63.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -67.71 -49.17 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -66.62 -44.71 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.8 t -62.93 -32.67 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 116' ' ' ILE . . . -71.2 -39.24 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -30.58 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -71.33 -46.91 59.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.725 HD12 ' N ' ' A' ' 117' ' ' VAL . 2.5 pp -63.85 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.91 HG22 ' CD1' ' A' ' 62' ' ' LEU . 25.1 t -57.89 -55.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.861 0.363 . . . . 0.0 110.217 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.16 -27.3 59.93 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.642 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -74.82 -46.25 37.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.58 0.228 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 124' ' ' VAL . 2.7 pp -73.5 -47.75 38.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 111.031 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -59.1 -45.34 91.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.1 ttm-85 -61.09 -46.79 89.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.93 -37.35 76.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.518 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 120' ' ' LEU . 37.8 t -68.74 -37.68 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.78 -49.56 77.25 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.231 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.22 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.22 -42.78 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.772 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -39.41 93.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -47.18 87.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.61 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.741 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.572 HD12 HD22 ' A' ' 51' ' ' LEU . 1.3 tt -67.94 -45.53 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.686 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.7 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.5 64.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.775 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.6 tp . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.817 0.342 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.493 ' N ' HG23 ' A' ' 13' ' ' ILE . 10.3 p -63.12 -26.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -81.62 -32.14 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.82 86.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.81 -40.22 91.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.14 -34.55 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.71 -51.66 52.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.206 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.25 -45.45 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.367 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.2 mttm -59.38 -51.18 71.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.613 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.78 -45.03 70.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -45.1 77.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.81 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.632 HD11 HG21 ' A' ' 61' ' ' THR . 50.8 mm -59.24 -51.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.19 53.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.96 -27.06 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.094 0.473 . . . . 0.0 110.088 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.742 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -69.9 -55.07 10.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.155 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.766 ' CD1' HD12 ' A' ' 127' ' ' LEU . 4.2 mm? -59.49 -32.94 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -50.26 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -67.98 -38.63 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.706 HD23 HD13 ' A' ' 127' ' ' LEU . 17.4 tp -64.84 -39.66 93.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -33.32 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -31.33 26.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.713 ' CD1' HD12 ' A' ' 131' ' ' LEU . 10.3 tp -69.68 -39.36 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.4 mt -72.4 -51.08 21.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.71 -49.59 75.98 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.614 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -62.06 -28.9 69.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.371 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -59.26 4.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -30.21 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 m -73.7 -63.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.417 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -162.22 126.09 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.502 ' HA ' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -78.68 51.4 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.139 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.98 -45.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.25 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.602 ' HB2' HD12 ' A' ' 36' ' ' LEU . 3.4 pp -58.87 -41.52 87.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' N ' HD12 ' A' ' 47' ' ' LEU . 10.0 m-85 -65.83 -37.44 86.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -44.58 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.9 m -62.42 -44.12 97.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.845 HD22 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -63.3 -38.26 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.654 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -55.54 33.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 57' ' ' THR . . . -67.08 -28.96 73.94 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.193 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -75.22 -33.89 61.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.675 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.1 mm? -76.38 -34.94 58.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -73.88 -47.32 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.504 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.742 HG21 ' HE2' ' A' ' 28' ' ' LYS . 14.2 t -61.13 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.665 HG22 ' CD2' ' A' ' 62' ' ' LEU . 9.7 p -68.17 -34.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.399 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.62 77.39 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.48 -32.8 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.632 HG21 HD11 ' A' ' 25' ' ' ILE . 54.0 m -60.9 -45.3 95.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.476 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.665 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.8 mm? -65.46 -48.55 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.445 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.687 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -60.06 -41.15 91.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.608 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.439 ' CE ' HG22 ' A' ' 117' ' ' VAL . 0.2 OUTLIER -60.82 -38.44 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.708 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 63' ' ' GLN . 8.2 mt -71.84 -37.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.94 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -53.54 42.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -30.62 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.591 HD11 ' HB1' ' A' ' 113' ' ' ALA . 26.0 mt -74.3 -60.06 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.764 0.316 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.46 -41.24 18.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -74.78 -39.06 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.65 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -55.76 -45.59 79.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.49 ' N ' HG23 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -64.53 -32.83 74.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.05 -46.43 81.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.804 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.54 -28.89 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -66.24 -46.66 76.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.785 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -68.69 -36.78 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.984 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 113' ' ' ALA . 46.6 t -58.1 -49.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.611 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.29 90.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.975 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -35.34 78.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.486 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.458 HD23 ' C ' ' A' ' 120' ' ' LEU . 4.0 tt -62.35 -56.78 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.678 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -33.23 64.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.21 -46.2 74.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.34 -43.98 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 120' ' ' LEU . 30.6 t -62.56 -39.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.77 95.17 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.319 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.83 -38.43 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.766 HD12 ' CD1' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -70.93 -49.66 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -31.37 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.628 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.4 p -70.67 -39.34 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.559 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -33.45 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.845 HD13 HD22 ' A' ' 51' ' ' LEU . 9.1 tt -67.99 -49.0 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.03 90.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.47 82.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.779 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 15' ' ' SER . 11.0 p -63.49 -44.99 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -65.32 -31.67 72.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.15 -37.24 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.15 -45.71 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 14' ' ' VAL . 22.0 t -62.28 -41.13 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.68 -51.79 53.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -43.47 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.599 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 25' ' ' ILE . 50.4 mttm -58.48 -49.9 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.636 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.88 -49.03 69.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 mt-10 -53.95 -40.22 66.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.98 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.763 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 120' ' ' LEU . 33.5 mm -58.17 -51.4 71.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.75 -52.39 53.43 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.547 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 23' ' ' GLU . 44.7 t -57.72 -27.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.117 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.713 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -72.41 -55.02 7.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.104 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.95 -27.41 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -50.15 41.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.27 -38.75 85.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.659 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 32' ' ' LEU . 6.3 tt -65.83 -37.67 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -47.34 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -81.0 -39.81 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD22 HD21 ' A' ' 127' ' ' LEU . 46.3 tp -63.28 -47.44 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -50.82 72.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -67.65 -40.53 90.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.538 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 47' ' ' LEU . . . -73.65 -16.84 61.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.483 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -58.74 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.338 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 42' ' ' SER . 49.6 p90 -79.99 -48.96 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.392 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 5.2 p -96.71 128.26 43.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 95.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 -13.59 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -85.46 -33.43 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.43 HD12 HD11 ' A' ' 131' ' ' LEU . 2.6 pp -62.88 -35.88 81.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -58.98 -50.33 74.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.55 -44.82 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -56.05 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.021 HD22 HD13 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -62.61 -40.38 96.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.44 -37.86 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.553 ' O ' HG22 ' A' ' 57' ' ' THR . . . -70.56 -38.19 68.48 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.155 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -69.82 -29.82 67.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD11 HD23 ' A' ' 51' ' ' LEU . 5.2 mt -77.1 -34.94 56.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.308 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -70.5 -47.61 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.099 0.476 . . . . 0.0 110.507 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.713 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.2 t -63.05 -46.52 87.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.99 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.678 ' O ' HG22 ' A' ' 61' ' ' THR . 6.1 p -61.13 -44.41 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.678 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 58' ' ' VAL . 13.3 ttmt -58.14 -34.76 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -65.07 -44.42 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 58' ' ' VAL . 6.0 t -70.8 -30.21 66.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.869 HD12 HG23 ' A' ' 117' ' ' VAL . 1.1 mm? -70.22 -46.33 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.302 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' ' 66' ' ' ILE . 3.9 mm-40 -64.07 -36.21 83.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.529 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.19 92.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.437 ' HG2' HD12 ' A' ' 69' ' ' LEU . 24.6 ttp -58.73 -54.99 40.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 63' ' ' GLN . 6.3 tt -58.19 -32.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -43.46 95.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.43 -33.85 58.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 113' ' ' ALA . 1.6 mt -61.29 -38.43 86.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.875 0.369 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.33 -30.52 27.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.995 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -47.15 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 mp -64.66 -45.99 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.4 t -59.36 -51.36 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.75 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.616 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -57.4 -54.47 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -27.4 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.33 -30.78 66.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 25.2 mm -73.07 -48.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.869 HG23 HD12 ' A' ' 62' ' ' LEU . 8.4 p -59.71 -42.04 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -63.4 -58.13 12.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -39.02 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 120' ' ' LEU . 5.7 tt -60.91 -55.87 27.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -33.97 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -64.59 -40.09 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -53.42 55.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.592 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.14 -33.23 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.805 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.53 -53.47 45.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.355 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.73 85.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.51 HD11 HD22 ' A' ' 32' ' ' LEU . 1.8 tt -64.64 -44.25 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.27 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -35.29 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -65.9 -41.15 91.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.724 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.021 HD13 HD22 ' A' ' 51' ' ' LEU . 9.1 tt -64.2 -49.22 72.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.718 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.66 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.59 -55.1 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.673 HG23 ' NE2' ' A' ' 68' ' ' GLN . 13.2 p -61.02 -39.67 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -73.3 -33.27 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.53 74.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.36 -41.08 92.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 14' ' ' VAL . 23.6 t -69.8 -30.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.75 -51.68 39.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.73 -34.21 77.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' HG22 ' A' ' 25' ' ' ILE . 45.0 mttp -68.24 -30.09 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.766 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HA ' HG22 ' A' ' 25' ' ' ILE . 8.5 t -76.14 -38.44 56.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -70.15 -47.35 62.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.01 74.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 21' ' ' LYS . 4.6 tp -58.26 -39.34 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.013 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -52.56 46.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.019 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.74 -27.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 109.883 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE2' ' CB ' ' A' ' 57' ' ' THR . 39.5 tttp -70.74 -54.85 10.17 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -30.77 71.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.026 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -46.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -63.36 -43.69 96.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.885 HD13 ' HG2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -60.61 -44.9 95.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.53 -49.73 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.39 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.222 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.1 tt -73.12 -42.76 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.154 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -52.16 -50.39 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.06 -52.84 16.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.677 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.55 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.635 0.255 . . . . 0.0 111.498 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.411 ' CE ' ' O ' ' A' ' 40' ' ' MET . 7.0 tpt -51.52 -59.66 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.421 ' CE2' ' HA2' ' A' ' 38' ' ' GLY . 29.3 p90 -80.69 -30.31 36.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.247 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -70.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.221 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.02 107.1 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.885 ' HA ' HD21 ' A' ' 47' ' ' LEU . 39.2 t0 -83.26 53.27 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 -43.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.604 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -33.9 72.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.885 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -72.96 -34.85 66.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.36 -50.26 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.653 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.59 -43.22 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.1 p -63.18 -35.89 81.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.756 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -63.19 -46.01 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.626 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -57.84 -53.75 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.61 -51.35 54.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.885 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -55.82 -37.89 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.786 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.946 HD11 HG11 ' A' ' 124' ' ' VAL . 3.3 mm? -63.91 -45.71 88.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -33.03 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.438 ' CB ' ' HE2' ' A' ' 28' ' ' LYS . 87.3 m -65.64 -53.74 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.798 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.914 HG23 HD13 ' A' ' 120' ' ' LEU . 13.2 p -67.84 -34.78 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.979 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -69.84 -45.48 67.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.171 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.28 -42.67 75.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.654 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.5 t -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.888 HD21 HD12 ' A' ' 120' ' ' LEU . 17.9 mt -68.77 -35.98 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -60.72 -41.09 94.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.55 79.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.512 ' HE2' HD23 ' A' ' 62' ' ' LEU . 2.7 ttp -61.58 -47.0 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.834 ' HA ' HD12 ' A' ' 69' ' ' LEU . 19.0 mt -61.53 -46.36 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.3 -34.58 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.692 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.673 ' NE2' HG23 ' A' ' 14' ' ' VAL . 12.0 tt0 -75.83 -30.35 58.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.739 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 66' ' ' ILE . 6.0 mt -73.41 -33.06 64.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.456 ' HA ' HD11 ' A' ' 111' ' ' ILE . 18.7 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.862 0.363 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.73 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -49.05 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 108' ' ' SER . 0.8 OUTLIER -63.55 -34.66 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -66.66 -39.03 88.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.976 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.726 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -72.67 -38.83 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.459 HD22 HD13 ' A' ' 69' ' ' LEU . 4.4 mm? -78.03 -33.95 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.577 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -74.63 -37.07 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.718 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.665 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.37 -45.19 76.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.635 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.878 HG23 HD13 ' A' ' 62' ' ' LEU . 6.9 p -59.64 -47.88 89.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.88 0.371 . . . . 0.0 110.424 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.477 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -61.55 -35.59 91.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.864 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -69.02 -38.24 79.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 110.64 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.914 HD13 HG23 ' A' ' 58' ' ' VAL . 18.0 mt -59.4 -56.23 24.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.423 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.72 -40.27 75.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -60.86 -46.72 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.177 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -62.0 -38.74 89.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.946 HG11 HD11 ' A' ' 55' ' ' LEU . 44.5 t -64.8 -41.4 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.602 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.52 95.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.107 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.91 -34.2 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.1 -47.41 65.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.03 -29.51 69.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 t -66.68 -49.16 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.83 -40.87 96.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.683 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.875 HD11 HD12 ' A' ' 47' ' ' LEU . 5.1 tt -62.0 -39.46 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.623 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.63 81.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.726 179.761 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.828 0.346 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.515 HG23 ' NE2' ' A' ' 68' ' ' GLN . 11.1 p -54.29 -28.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.4 t -73.84 -30.94 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.85 75.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -70.41 -31.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.18 -51.58 13.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -36.23 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.54 -41.9 87.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.2 t -60.98 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.94 -43.85 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.96 84.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.776 HD13 HG21 ' A' ' 61' ' ' THR . 1.2 tp -59.39 -40.83 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.63 -52.08 27.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.34 -27.39 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.944 0.402 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HD2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -70.94 -53.03 16.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.964 179.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.89 -31.36 70.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.993 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -49.58 69.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.624 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.76 -37.57 87.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD13 ' HG2' ' A' ' 54' ' ' GLU . 14.8 tp -67.91 -44.21 77.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.92 -45.77 86.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -44.26 96.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -30.43 66.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD11 HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -66.06 -53.73 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -55.78 -53.79 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.085 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.55 -50.33 67.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -61.22 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG2' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.15 -52.49 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.44 -28.64 37.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -79.87 -66.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -122.38 -143.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.562 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -158.45 -41.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.23 -20.64 51.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.04 64.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.384 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 48' ' ' PHE . 3.5 pp -62.3 -32.64 73.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' N ' HD12 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -64.43 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.696 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -60.82 -50.94 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -37.79 76.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.767 ' HG ' HD23 ' A' ' 55' ' ' LEU . 6.4 tp -63.28 -43.36 98.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.696 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.99 -52.76 64.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.024 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.45 -36.94 93.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.556 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -71.14 -35.96 71.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.079 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.767 HD23 ' HG ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -69.12 -44.96 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.974 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.34 -43.49 98.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 0.0 110.352 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.555 HG21 ' HD2' ' A' ' 28' ' ' LYS . 58.8 m -56.78 -56.59 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.592 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.829 HG22 ' CD2' ' A' ' 62' ' ' LEU . 12.2 p -58.99 -34.73 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.61 -47.17 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.91 -33.28 74.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.178 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.776 HG21 HD13 ' A' ' 25' ' ' ILE . 21.2 m -62.86 -52.4 63.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.829 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.4 mm? -59.63 -43.06 93.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.489 ' O ' HD12 ' A' ' 67' ' ' LEU . 3.2 mt-30 -63.05 -40.22 97.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.97 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 ttp -59.63 -48.36 81.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.466 HD12 ' O ' ' A' ' 62' ' ' LEU . 8.5 mt -66.98 -42.23 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 63' ' ' GLN . 5.7 mt -63.4 -36.97 85.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.515 ' NE2' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -67.84 -50.52 56.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.642 HD11 ' HB1' ' A' ' 113' ' ' ALA . 13.8 mt -65.63 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.745 0.307 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.46 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.0 mp -65.81 -46.18 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 t -64.46 -42.61 95.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.892 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.91 -50.23 74.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.16 -28.26 66.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -46.52 75.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -69.94 -36.97 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.938 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.8 t -58.62 -53.3 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.493 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.83 99.29 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.754 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -34.81 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.391 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.647 HD13 HD11 ' A' ' 62' ' ' LEU . 3.9 tt -67.09 -57.04 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.62 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -60.63 -52.71 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.87 -41.16 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.14 87.12 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.55 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.94 -36.43 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.86 -48.54 68.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m -64.58 -32.76 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -68.11 -45.94 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.698 HD12 HD11 ' A' ' 36' ' ' LEU . 10.0 tt -62.33 -46.81 87.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.91 94.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.77 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.0 tp . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.794 0.331 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.481 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.3 p -66.58 -44.79 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.481 ' N ' HG13 ' A' ' 14' ' ' VAL . 14.8 m -63.11 -31.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.29 92.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.25 -43.73 95.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.08 -37.23 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.55 56.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.4 -34.36 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.78 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -66.14 -41.25 90.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.451 ' O ' HG22 ' A' ' 25' ' ' ILE . 49.0 t -66.1 -38.74 88.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.1 tm-20 -68.17 -40.19 82.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -74.58 -41.11 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.744 HD13 HG21 ' A' ' 61' ' ' THR . 3.5 tp -62.32 -35.34 68.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.031 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.24 -52.25 7.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.383 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 23' ' ' GLU . 16.5 m -56.7 -27.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.046 0.45 . . . . 0.0 110.207 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.577 ' HE2' HG21 ' A' ' 57' ' ' THR . 30.5 tttp -71.97 -53.47 12.93 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.738 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.59 -30.12 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -49.98 64.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.25 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.947 HD11 HD22 ' A' ' 51' ' ' LEU . 5.8 tp -68.19 -35.91 78.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.733 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.618 ' O ' HD12 ' A' ' 37' ' ' LEU . 2.9 mm-40 -66.44 -46.36 76.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.97 -33.15 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.06 -31.74 27.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 51' ' ' LEU . 7.7 tt -71.46 -34.04 69.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -66.6 -53.27 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.79 -31.52 70.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.12 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.639 0.257 . . . . 0.0 111.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -55.57 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.23 -52.66 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 1.4 p -90.24 151.58 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.933 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.428 ' O ' ' CB ' ' A' ' 44' ' ' ASP . 8.4 m-70 64.51 -75.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 5.0 t70 82.21 -51.1 0.22 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.68 -26.59 67.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.71 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.707 ' O ' HD23 ' A' ' 51' ' ' LEU . 1.2 pp -58.85 -32.02 69.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.987 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -67.91 -50.16 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -66.98 -41.99 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.6 p -62.02 -44.61 96.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.947 HD22 HD11 ' A' ' 32' ' ' LEU . 3.7 mm? -63.47 -36.64 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -56.71 18.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.94 92.75 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.29 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.856 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.75 -39.34 80.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.626 179.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.1 mm? -64.72 -35.33 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.12 -42.0 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.577 HG21 ' HE2' ' A' ' 28' ' ' LYS . 90.0 m -59.51 -53.52 57.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.647 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.802 HG22 ' CD2' ' A' ' 62' ' ' LEU . 8.5 p -59.96 -38.08 75.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.808 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -54.39 -47.43 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.423 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.19 -29.6 67.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.453 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.744 HG21 HD13 ' A' ' 25' ' ' ILE . 47.7 m -66.63 -51.34 57.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.82 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.802 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.5 mm? -62.86 -43.74 97.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.582 ' O ' HD23 ' A' ' 67' ' ' LEU . 6.4 tt0 -61.72 -38.39 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.29 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.609 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -66.23 -39.77 89.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.4 mt -70.44 -39.68 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 63' ' ' GLN . 3.5 mm? -69.42 -39.37 77.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 65' ' ' MET . 3.4 mt -73.19 -47.83 40.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.796 0.332 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.86 -43.47 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.4 mmm-85 -60.97 -49.0 79.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.5 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -65.01 -45.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.9 t -63.22 -37.29 86.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.87 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.9 -48.2 80.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.14 -24.89 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.6 -46.39 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.81 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.22 -38.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.306 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 113' ' ' ALA . 61.8 t -58.77 -51.25 74.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.07 -43.57 98.97 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.034 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -38.05 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.495 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 62' ' ' LEU . 1.9 tt -63.92 -54.58 32.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -33.15 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.77 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -48.82 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -60.09 -48.73 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.754 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.62 -33.81 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.75 -51.37 59.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.336 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.629 ' CD1' HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -68.78 -45.7 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.56 99.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.0 m -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -65.17 -40.93 94.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.547 HD12 ' HG ' ' A' ' 51' ' ' LEU . 1.2 tt -61.89 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.39 73.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.51 -53.73 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.805 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.84 -34.05 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.2 t -69.43 -31.21 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.88 -31.18 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.55 -50.77 70.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -58.68 -30.39 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.08 -51.86 21.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -66.59 -35.11 79.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -69.01 -51.31 40.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.03 -35.94 69.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.64 -46.33 72.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.395 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.889 HD11 HG21 ' A' ' 61' ' ' THR . 27.2 mm -61.01 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.29 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.54 -52.33 40.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.675 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.86 -27.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.114 0.483 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.803 ' HE2' HG21 ' A' ' 57' ' ' THR . 54.2 tttp -74.73 -55.02 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.53 -29.23 70.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -47.67 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.641 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.42 -35.08 79.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD12 ' HG2' ' A' ' 54' ' ' GLU . 4.9 tt -66.92 -43.19 83.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -48.97 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.072 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.28 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -28.32 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 HD12 ' A' ' 131' ' ' LEU . 7.7 tt -73.08 -37.52 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.61 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 -44.3 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.8 -24.21 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -59.06 3.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -29.58 37.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -81.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.142 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.03 90.55 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.719 ' HA ' HD21 ' A' ' 47' ' ' LEU . 6.1 p-10 -64.74 -23.68 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.2 -24.36 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.337 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.91 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 111.541 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.719 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -60.41 -35.52 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.166 -179.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.43 -50.15 72.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -71.29 -32.27 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -47.82 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.664 HD11 ' CD2' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -63.31 -42.94 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.853 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.67 -54.6 44.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.591 ' O ' HG22 ' A' ' 57' ' ' THR . . . -68.3 -31.28 74.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.69 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.47 -30.4 57.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.728 0.299 . . . . 0.0 110.971 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 ' CG1' ' A' ' 124' ' ' VAL . 1.9 mm? -76.2 -35.12 59.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -73.0 -47.02 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 110.547 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.803 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -60.72 -49.33 77.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.873 HG22 ' CD2' ' A' ' 62' ' ' LEU . 11.7 p -60.02 -44.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 58' ' ' VAL . 6.0 mtmt -54.9 -39.76 69.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.467 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -45.02 89.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.889 HG21 HD11 ' A' ' 25' ' ' ILE . 4.3 t -67.95 -34.66 77.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.096 HD12 HG23 ' A' ' 117' ' ' VAL . 0.9 OUTLIER -62.09 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -70.05 -32.29 70.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.79 -55.02 16.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.513 ' SD ' HD13 ' A' ' 62' ' ' LEU . 8.3 ptm -58.0 -49.52 76.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.283 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.518 ' HA ' HD12 ' A' ' 69' ' ' LEU . 20.1 tt -58.68 -36.08 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.69 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -61.81 -31.79 72.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.78 HD11 ' HB1' ' A' ' 113' ' ' ALA . 10.8 mt -66.26 -45.23 81.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.857 0.361 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.36 -45.91 13.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.645 ' CZ ' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -67.75 -46.51 71.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -62.1 -44.51 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 111' ' ' ILE . 9.7 t -70.34 -36.47 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.78 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -71.93 -38.05 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HA ' HG12 ' A' ' 117' ' ' VAL . 3.7 mm? -77.38 -32.61 55.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.09 -42.18 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.697 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -70.06 -45.73 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.274 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 1.096 HG23 HD12 ' A' ' 62' ' ' LEU . 7.4 p -58.07 -45.46 88.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.706 0.289 . . . . 0.0 110.514 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.471 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -66.36 -39.4 94.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.791 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.21 -31.13 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.658 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.85 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.3 tp -64.52 -56.59 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -37.57 82.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -55.78 -48.58 75.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -33.93 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 120' ' ' LEU . 42.7 t -65.29 -45.33 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.652 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.36 -45.49 96.33 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.123 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.97 93.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.664 ' CD2' HD11 ' A' ' 51' ' ' LEU . 9.1 tt -71.16 -39.99 71.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 m -65.13 -42.44 93.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -35.61 76.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.747 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.642 HD13 HD22 ' A' ' 51' ' ' LEU . 3.1 tt -69.72 -55.09 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.79 74.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.89 -35.4 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.28 -38.51 79.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.7 m -74.76 -35.24 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.4 -41.53 94.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.9 -32.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.46 -51.86 34.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.292 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.92 -44.4 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.351 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' O ' HG12 ' A' ' 25' ' ' ILE . 24.8 mttt -57.7 -47.82 81.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.417 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.9 -46.55 71.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -58.14 -36.09 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -68.26 -35.07 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.487 HD11 HG21 ' A' ' 61' ' ' THR . 45.8 mm -62.49 -51.2 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.47 52.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.403 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.7 m -57.92 -27.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.071 0.462 . . . . 0.0 110.066 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -54.89 6.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.965 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.3 mm? -61.01 -32.41 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -49.65 60.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -66.74 -34.83 78.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD22 ' HG2' ' A' ' 54' ' ' GLU . 24.9 tp -68.17 -43.78 77.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.732 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.7 -49.78 76.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -36.75 78.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.79 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -76.67 -32.05 57.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.79 HD11 HD12 ' A' ' 131' ' ' LEU . 3.5 tp -62.77 -41.86 99.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.791 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.63 -41.94 95.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -49.91 58.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.567 ' HB1' ' N ' ' A' ' 47' ' ' LEU . . . -59.44 -34.73 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.63 85.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -80.49 -31.06 37.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -77.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -145.87 -82.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 176.0 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.06 -42.18 84.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.37 -32.93 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' N ' ' HB1' ' A' ' 39' ' ' ALA . 50.9 tp -63.41 -51.1 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -66.81 -39.25 87.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.799 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -52.24 66.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -39.56 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.777 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.973 HD13 HD13 ' A' ' 131' ' ' LEU . 5.7 tp -69.13 -37.64 78.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.77 -56.63 19.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.23 -35.69 92.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.436 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.637 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.96 -47.94 72.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.833 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.815 HD23 ' HG ' ' A' ' 51' ' ' LEU . 1.1 mm? -60.9 -34.77 75.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -66.38 -41.96 88.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.555 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.1 m -63.48 -54.48 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.807 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -56.88 -34.61 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -66.41 -38.84 88.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -69.35 -45.31 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 25' ' ' ILE . 2.0 t -64.03 -41.17 97.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.138 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 58' ' ' VAL . 2.2 mm? -65.34 -49.47 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -57.08 -40.52 77.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.66 84.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.616 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -66.32 -46.42 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.88 -39.32 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -41.04 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.738 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -34.93 62.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.833 HD11 ' HB1' ' A' ' 113' ' ' ALA . 6.3 mt -70.57 -42.64 70.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.799 0.333 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.64 -29.27 33.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -49.19 76.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -34.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.013 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -61.05 -52.87 63.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.833 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -66.12 -51.09 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.54 -49.09 78.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.85 -39.21 73.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 9.6 mm -60.6 -47.44 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.744 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 113' ' ' ALA . 16.0 t -57.78 -46.73 87.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.36 -50.31 66.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.298 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -40.55 97.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.807 HD21 ' CG2' ' A' ' 58' ' ' VAL . 3.4 tt -63.19 -52.78 60.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -34.55 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -69.41 -40.77 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -44.24 79.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.588 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.517 HG23 HD23 ' A' ' 120' ' ' LEU . 43.1 t -64.99 -40.24 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.43 91.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.176 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.56 98.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.4 tt -68.74 -40.26 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -43.79 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -35.14 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.653 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.523 ' CE ' HD23 ' A' ' 36' ' ' LEU . 32.8 ttpt -64.58 -41.83 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.973 HD13 HD13 ' A' ' 51' ' ' LEU . 9.3 tt -68.42 -38.86 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.684 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.8 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 -39.97 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 179.802 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.69 0.281 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' NE2' ' A' ' 68' ' ' GLN . 11.7 p -56.21 -34.55 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.115 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -64.92 -43.16 93.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.52 80.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -59.13 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -61.93 -30.6 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.96 -51.83 42.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.5 -48.72 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 110.455 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -50.44 73.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -53.91 -41.8 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.93 -40.51 89.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.407 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.5 -38.9 85.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.504 HD12 HD11 ' A' ' 120' ' ' LEU . 49.6 mm -59.57 -46.82 92.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.25 -52.41 44.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.581 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 24' ' ' ALA . 22.3 m -56.87 -28.57 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.139 0.495 . . . . 0.0 110.063 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.581 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.8 OUTLIER -73.97 -54.88 6.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.846 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.3 mm? -63.5 -30.04 71.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.46 -50.31 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.382 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.594 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.1 tt -70.22 -43.48 70.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.87 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.93 -36.11 83.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -79.55 -30.6 41.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.443 HD11 HD12 ' A' ' 131' ' ' LEU . 3.1 tp -66.24 -56.36 11.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.27 -58.04 10.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -63.09 -22.05 66.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.696 0.284 . . . . 0.0 111.235 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.446 ' CE ' ' O ' ' A' ' 40' ' ' MET . 6.8 tpt -60.33 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.62 -30.49 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -70.92 -75.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -114.8 -143.34 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.438 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.44 -43.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.12 -22.96 51.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.945 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -50.92 69.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.269 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.675 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 4.4 pp -66.32 -38.92 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.796 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.639 ' N ' HD12 ' A' ' 47' ' ' LEU . 35.6 t80 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.795 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.33 -48.1 81.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.737 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -58.91 -37.22 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.764 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.887 ' HG ' HD13 ' A' ' 131' ' ' LEU . 1.2 mm? -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -49.74 76.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.94 92.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.166 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' CG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -71.21 -31.93 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.75 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 51' ' ' LEU . 1.9 mm? -69.83 -40.32 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.19 -36.4 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.581 HG21 ' HE2' ' A' ' 28' ' ' LYS . 78.2 m -65.27 -53.41 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.653 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.5 p -60.04 -34.9 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.02 0.438 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -63.7 -43.0 97.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.772 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.44 -49.66 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 58' ' ' VAL . 4.9 t -60.79 -30.87 70.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.951 HD21 HD22 ' A' ' 120' ' ' LEU . 1.2 mm? -71.22 -42.99 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.521 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.3 tt0 -63.12 -33.24 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.64 -44.96 61.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.779 ' CE ' HG22 ' A' ' 117' ' ' VAL . 6.8 ttp -60.5 -42.57 96.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mt -69.57 -40.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -66.89 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -76.53 -32.81 58.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.727 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -76.06 -49.76 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.778 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.5 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.06 -54.19 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -59.59 -45.84 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -64.82 -44.89 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.473 ' N ' HG23 ' A' ' 111' ' ' ILE . 24.0 t -66.95 -34.19 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.766 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.875 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -68.99 -50.88 45.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -28.55 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -70.33 -46.55 63.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -67.54 -37.92 79.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.4 t -59.53 -53.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.59 99.61 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.084 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.68 -33.83 74.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.675 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.951 HD22 HD21 ' A' ' 62' ' ' LEU . 6.9 tt -61.02 -56.82 16.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -31.71 72.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -57.93 -45.33 86.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.314 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.25 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 120' ' ' LEU . 42.7 t -64.47 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.686 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.6 62.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.072 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.11 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.84 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.03 -46.61 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.684 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -49.21 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.6 p -64.53 -39.23 93.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -39.83 94.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.782 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.887 HD13 ' HG ' ' A' ' 51' ' ' LEU . 1.3 tt -63.09 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.26 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.99 -44.46 69.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.7 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.876 0.37 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 13' ' ' ILE . 12.3 p -63.54 -33.82 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -70.61 -31.24 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.62 -47.0 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 t -69.21 -33.08 56.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.98 -51.71 43.26 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.47 -34.03 77.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.903 0.382 . . . . 0.0 110.821 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' ILE . 12.4 mttt -75.07 -37.29 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.7 t -63.93 -40.11 95.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 27' ' ' VAL . 34.8 mt-10 -71.02 -51.87 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.32 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.562 HG12 HD21 ' A' ' 120' ' ' LEU . 1.3 tp -58.14 -38.67 69.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.19 -52.25 53.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.869 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.511 HG12 ' CE1' ' A' ' 31' ' ' HIS . 39.5 t -58.58 -27.39 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.188 0.518 . . . . 0.0 109.763 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE2' HG21 ' A' ' 57' ' ' THR . 3.4 tmtm? -62.99 -55.11 28.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.069 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.66 -34.34 74.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.39 -50.2 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' HG12 ' A' ' 27' ' ' VAL . 24.8 m80 -62.5 -32.02 72.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.572 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD11 ' CB ' ' A' ' 54' ' ' GLU . 1.6 mt -60.05 -52.68 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.64 -37.39 86.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -31.52 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -47.74 84.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.22 -39.86 94.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -69.76 -50.43 30.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.683 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' CB ' ' HB3' ' A' ' 47' ' ' LEU . . . -71.84 -13.84 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.502 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -53.83 50.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 42' ' ' SER . 23.5 p90 -80.49 -41.82 23.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.437 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 68.9 p -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.85 102.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -83.79 -19.19 35.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.349 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -82.84 -32.64 27.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.847 0.356 . . . . 0.0 110.773 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 3.1 pp -61.95 -33.04 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.696 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -58.99 -50.25 74.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -67.49 -49.43 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.435 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -52.72 -47.12 67.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.584 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 127' ' ' LEU . 2.7 mm? -62.84 -35.93 81.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.296 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -56.31 -41.17 75.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.939 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.2 -39.98 71.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.04 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.533 ' CB ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -59.95 -40.71 89.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 0.0 110.643 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -72.42 -34.73 68.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.904 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -64.77 -34.12 77.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.434 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -79.47 -42.19 25.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 25' ' ' ILE . 6.2 p -66.83 -34.63 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.427 . . . . 0.0 110.607 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -73.43 -43.28 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.32 -41.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.754 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 58' ' ' VAL . 7.1 t -64.96 -44.2 90.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' A' ' 120' ' ' LEU . 13.4 mt -62.94 -35.43 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.1 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.182 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.77 97.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.578 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 69' ' ' LEU . 4.3 ttp -59.78 -52.51 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.762 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.708 ' HA ' HD12 ' A' ' 69' ' ' LEU . 6.5 mt -58.86 -30.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 tp -70.72 -33.33 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.407 HE22 HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -76.54 -37.26 56.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 66' ' ' ILE . 1.6 mt -73.77 -28.1 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.7 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.886 0.374 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.39 -34.88 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.03 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -60.77 -48.94 79.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.0 mp -62.74 -44.85 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.6 t -65.61 -42.94 91.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.575 ' O ' HG12 ' A' ' 117' ' ' VAL . . . -66.7 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.38 -28.09 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.38 -46.57 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.661 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.53 -46.57 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.708 HG23 HD13 ' A' ' 62' ' ' LEU . 7.6 p -60.86 -43.96 96.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.444 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -65.96 -39.69 95.0 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.621 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.55 -36.34 80.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.925 0.393 . . . . 0.0 110.256 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.828 ' HB3' HD11 ' A' ' 62' ' ' LEU . 7.2 tp -60.3 -50.4 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.489 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -60.11 -40.87 91.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -47.09 87.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 120' ' ' LEU . 38.3 t -69.46 -34.06 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.71 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.76 -39.86 98.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.192 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.77 63.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 110.788 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 51' ' ' LEU . 7.6 tt -67.92 -49.31 62.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.719 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -34.58 78.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.7 m -60.12 -51.14 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -68.05 -30.54 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.491 HD13 ' HG ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -60.07 -55.31 35.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.67 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.14 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.996 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.4 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.466 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.9 p -58.91 -36.79 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -75.37 -31.87 60.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -33.74 74.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.59 -32.76 70.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.15 -35.62 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.79 54.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.268 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -67.37 -46.71 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.4 . . . . 0.0 110.485 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' O ' HG12 ' A' ' 25' ' ' ILE . 33.5 mttt -57.4 -51.29 70.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.576 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.97 -43.48 69.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.38 -34.93 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.373 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -73.0 -38.95 66.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.947 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 21' ' ' LYS . 39.4 mm -61.46 -35.34 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -52.07 6.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 24' ' ' ALA . 23.8 m -56.51 -27.26 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.403 . . . . 0.0 110.321 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.8 ' HE2' HG21 ' A' ' 57' ' ' THR . 11.6 tttp -74.86 -53.85 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.844 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.09 -35.62 71.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -50.12 53.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.759 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.68 -45.32 93.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.742 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.728 HD13 ' HG2' ' A' ' 54' ' ' GLU . 3.7 tp -63.63 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.58 -50.96 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.76 -35.85 79.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -31.67 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD2' HD22 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -65.49 -46.72 78.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -53.19 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.23 95.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.32 -17.87 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.65 0.262 . . . . 0.0 111.397 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.62 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.76 -58.07 9.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -79.89 -37.73 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -93.31 100.32 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t60 59.96 106.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -80.27 -26.52 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.55 -33.23 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.011 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.27 71.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 40' ' ' MET . 14.0 mt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -69.45 -47.15 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -62.1 -46.72 87.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -46.61 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 131' ' ' LEU . 1.1 mp -66.71 -33.66 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.741 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -52.61 64.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.598 ' O ' HG22 ' A' ' 57' ' ' THR . . . -71.37 -30.24 67.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.384 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.728 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -74.64 -32.87 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.7 mm? -76.92 -34.94 57.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -69.52 -47.34 64.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.8 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.7 t -63.94 -48.93 74.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.735 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.5 p -59.44 -34.79 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.774 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -36.33 80.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.193 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.54 98.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.653 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 58' ' ' VAL . 14.4 t -71.61 -31.34 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.518 HD21 HD22 ' A' ' 120' ' ' LEU . 0.9 OUTLIER -67.67 -43.89 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.712 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' A' ' 66' ' ' ILE . 2.1 mm-40 -71.44 -35.38 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.94 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.537 ' HG2' HD11 ' A' ' 69' ' ' LEU . 5.3 ttp -69.1 -51.26 40.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 62' ' ' LEU . 4.5 tt -58.6 -34.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.32 -38.16 71.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -73.82 -31.55 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.577 HD11 ' HB1' ' A' ' 113' ' ' ALA . 6.1 mt -78.83 -53.97 6.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.775 0.322 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.77 -29.96 36.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -67.26 -49.16 65.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -60.66 -34.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.73 -42.37 86.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.687 ' O ' HG13 ' A' ' 117' ' ' VAL . . . -72.74 -37.33 67.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.298 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.407 ' HA ' HG22 ' A' ' 117' ' ' VAL . 4.3 mm? -78.64 -33.49 47.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -74.2 -37.62 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -71.98 -44.78 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.819 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 113' ' ' ALA . 29.7 m -60.17 -45.72 95.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.869 0.366 . . . . 0.0 110.336 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.482 ' N ' HG23 ' A' ' 117' ' ' VAL . . . -61.11 -41.38 99.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.554 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -33.24 73.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.117 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' A' ' 58' ' ' VAL . 4.8 tt -62.47 -56.83 14.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.478 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -56.42 -40.43 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -58.79 -43.11 90.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -39.65 88.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.553 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 120' ' ' LEU . 26.2 t -62.97 -43.71 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.86 -49.44 78.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.288 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.85 85.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 tt -70.1 -42.34 72.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.665 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -42.61 97.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.1 m -63.9 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.701 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.1 -41.67 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.73 HD13 HD22 ' A' ' 51' ' ' LEU . 7.5 tt -65.54 -47.6 75.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.722 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.43 80.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.644 179.836 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.5 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.807 0.337 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.448 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.6 p -63.19 -40.28 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.072 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -73.33 -30.94 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.26 -37.33 57.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.0 -45.55 86.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.6 -29.32 30.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.58 41.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.631 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.21 -34.06 70.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.933 0.397 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' O ' HG22 ' A' ' 25' ' ' ILE . 17.7 mttm -68.4 -48.5 64.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.466 ' HA ' HG22 ' A' ' 25' ' ' ILE . 48.7 t -64.96 -37.09 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.16 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -69.96 -51.94 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.388 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.08 -47.91 72.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.795 HD13 HG21 ' A' ' 61' ' ' THR . 1.3 tp -58.18 -36.95 59.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.14 -52.24 46.12 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.062 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 23' ' ' GLU . 56.8 t -57.43 -27.22 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.08 0.467 . . . . 0.0 109.978 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.821 ' HE2' HG21 ' A' ' 57' ' ' THR . 19.0 tttp -69.2 -54.86 12.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.052 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.92 -42.36 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -45.95 92.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.81 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.812 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.764 HD12 ' HG2' ' A' ' 54' ' ' GLU . 9.0 tt -63.42 -46.11 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.21 -40.63 90.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.06 87.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.05 -35.02 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.559 ' CD1' HD11 ' A' ' 51' ' ' LEU . 3.4 tt -60.08 -40.72 90.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -57.04 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.24 68.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.57 67.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.349 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -59.13 5.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.818 0.342 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.11 -26.6 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -58.13 -54.21 49.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 -36.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.483 ' HA ' HD21 ' A' ' 47' ' ' LEU . 15.7 t70 76.91 15.51 1.92 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.104 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -114.82 -42.38 3.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 110.369 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.76 83.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.772 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.0 pp -68.22 -32.85 73.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.446 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.645 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -51.78 66.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.627 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.964 HD22 HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -66.6 -40.67 88.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.569 179.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.17 84.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . . . -69.98 -30.15 70.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.241 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.764 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.96 -31.74 61.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.789 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.2 mm? -77.12 -34.9 56.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.86 -46.1 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.821 HG21 ' HE2' ' A' ' 28' ' ' LYS . 3.7 t -63.83 -51.1 66.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.599 HG23 HD21 ' A' ' 120' ' ' LEU . 11.7 p -57.69 -39.93 72.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' 58' ' ' VAL . 38.6 mttt -63.87 -39.64 94.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.432 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -38.13 77.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.983 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.795 HG21 HD13 ' A' ' 25' ' ' ILE . 1.4 t -71.56 -30.64 66.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.799 0.333 . . . . 0.0 110.968 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.642 HD22 HG13 ' A' ' 117' ' ' VAL . 24.2 mt -78.11 -34.28 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -36.3 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.432 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.12 65.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.693 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' LEU . 3.4 ttp -59.69 -51.06 71.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.816 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -39.13 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.1 -31.5 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -33.83 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -70.64 -56.98 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.784 0.326 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.37 -42.66 20.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.435 ' HG2' HD23 ' A' ' 69' ' ' LEU . 74.8 mtt180 -76.82 -42.22 41.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -60.41 -43.04 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 111' ' ' ILE . 52.0 p -63.77 -39.42 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -59.67 -52.62 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.33 -25.36 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.725 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.02 -46.58 70.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.748 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -68.65 -36.68 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.738 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 113' ' ' ALA . 43.4 t -59.03 -48.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.627 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.1 96.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.934 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.93 83.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 124' ' ' VAL . 8.5 tp -61.73 -53.47 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -35.89 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -65.38 -52.7 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.548 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -59.93 -44.6 94.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.453 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 120' ' ' LEU . 32.8 t -66.41 -34.79 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.768 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.16 48.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.302 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.16 93.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.674 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 127' ' ' LEU . 1.1 tm? -69.58 -33.55 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.58 ' OE2' HG12 ' A' ' 124' ' ' VAL . 3.8 mt-10 -70.64 -45.05 65.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -44.36 95.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -39.76 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.964 HD12 HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -61.87 -45.06 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.05 89.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.74 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.833 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 15' ' ' SER . 10.5 p -62.9 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' HG13 ' A' ' 14' ' ' VAL . 58.4 p -76.01 -36.99 58.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.82 89.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.64 -33.49 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.674 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 t -69.65 -37.07 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.79 47.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.377 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.17 -48.04 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.599 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.4 mttm -60.0 -49.55 77.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.574 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.0 t -53.87 -39.81 66.0 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -47.74 85.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.71 -35.42 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.976 HD11 HG21 ' A' ' 61' ' ' THR . 25.9 mm -62.6 -42.83 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.28 31.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.367 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 24' ' ' ALA . 26.2 m -56.98 -27.44 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.09 0.471 . . . . 0.0 110.18 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HE2' HG21 ' A' ' 57' ' ' THR . 13.1 tttp -72.36 -55.02 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.022 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.21 -29.39 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.26 -50.31 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.326 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -66.7 -31.01 71.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.676 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.5 tt -66.45 -41.41 89.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.18 -42.43 79.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.94 -31.97 73.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -83.78 -38.54 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 127' ' ' LEU . 6.5 tt -59.12 -47.94 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -45.22 93.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.11 -49.35 34.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.579 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -59.91 -21.41 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.436 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -59.32 5.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 42' ' ' SER . 7.5 p90 -80.61 -29.65 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 28.2 t -73.74 -76.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.056 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.54 113.96 6.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HA ' HD21 ' A' ' 47' ' ' LEU . 3.1 m-20 -65.37 -18.57 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.207 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.95 -33.1 65.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.01 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.1 pp -64.05 -34.92 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.608 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -60.46 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.792 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.64 -51.15 68.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.9 m -59.35 -40.34 86.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.055 HD13 HD11 ' A' ' 131' ' ' LEU . 0.8 OUTLIER -63.8 -38.44 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.69 -56.38 22.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.07 82.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.112 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.98 93.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.713 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.708 HD11 ' CG1' ' A' ' 124' ' ' VAL . 1.2 mm? -67.06 -43.39 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.803 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -63.88 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.55 HG21 ' HE2' ' A' ' 28' ' ' LYS . 45.9 m -68.63 -56.95 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.645 HG22 HD23 ' A' ' 62' ' ' LEU . 6.2 p -62.88 -36.48 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -62.07 -38.84 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.271 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.88 -45.51 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.673 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.976 HG21 HD11 ' A' ' 25' ' ' ILE . 3.7 t -69.85 -27.26 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.713 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.9 ' CD2' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -66.01 -47.98 72.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 179.48 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.616 HE21 HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -65.79 -38.89 90.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.574 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.412 ' CE ' HG22 ' A' ' 117' ' ' VAL . 4.8 ttp -59.94 -49.6 77.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.616 HD11 HE21 ' A' ' 63' ' ' GLN . 36.3 pt -68.35 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 67' ' ' LEU . 7.7 tt -66.97 -41.33 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -39.91 68.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.779 HD11 ' HB1' ' A' ' 113' ' ' ALA . 83.6 mt -66.21 -57.07 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.24 -28.28 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.24 14.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 1.1 pp -64.74 -38.52 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 t -62.75 -40.32 96.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.945 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.92 -50.89 20.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.484 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.58 HD22 HD13 ' A' ' 69' ' ' LEU . 3.3 mm? -66.1 -38.31 87.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.282 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 111' ' ' ILE . 1.4 t30 -65.61 -46.43 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.125 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -63.29 -36.89 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.24 . . . . 0.0 110.787 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 113' ' ' ALA . 58.2 t -60.24 -52.15 64.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.0 86.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.998 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -76.78 -29.11 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.9 HD23 ' CD2' ' A' ' 62' ' ' LEU . 6.9 tp -67.56 -52.38 39.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.946 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.531 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 3.9 ptm180 -55.74 -45.49 77.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.93 0.395 . . . . 0.0 110.022 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.11 96.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.702 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 120' ' ' LEU . 57.3 t -64.88 -35.99 76.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.493 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.03 -50.22 67.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.038 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -40.56 86.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.558 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 36' ' ' LEU . 8.5 tp -69.53 -36.66 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -50.26 70.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.602 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -38.82 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.558 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -63.43 -34.36 77.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.055 HD11 HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.03 -45.82 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.95 91.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.984 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.656 179.786 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.0 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.342 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.492 ' N ' HG23 ' A' ' 13' ' ' ILE . 12.7 p -65.81 -38.71 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 m -68.44 -31.81 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.59 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.65 -37.36 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.95 -34.72 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.18 -51.73 41.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.294 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.22 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.314 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 25' ' ' ILE . 51.6 mttt -58.41 -51.28 70.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -53.84 -46.29 71.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -55.69 -39.75 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.331 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -66.33 -37.2 84.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.902 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.612 HD12 HD11 ' A' ' 120' ' ' LEU . 47.5 mm -59.51 -48.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.722 ' O ' HD12 ' A' ' 30' ' ' LEU . . . -62.53 -52.38 49.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.509 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.41 HG22 ' HA ' ' A' ' 24' ' ' ALA . 27.3 m -58.05 -27.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 57' ' ' THR . 1.5 tptp -74.8 -53.91 8.29 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.989 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.2 mm? -57.81 -30.38 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -71.98 -50.29 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.438 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.28 69.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 127' ' ' LEU . 3.1 tt -70.11 -47.65 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.38 -49.55 77.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.68 -35.96 79.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.751 ' HG ' HD11 ' A' ' 47' ' ' LEU . 4.7 tt -65.0 -49.57 69.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.82 -41.07 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.98 -50.8 27.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.71 -16.93 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.601 0.239 . . . . 0.0 111.512 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.515 ' HE3' ' O ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -58.39 -59.17 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.666 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -50.4 12.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -73.1 86.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 61.15 113.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -73.89 -25.66 60.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.38 -43.19 71.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.85 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HG ' ' A' ' 36' ' ' LEU . 12.8 tp -61.91 -49.85 74.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.764 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -62.43 -45.65 92.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -59.79 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -58.18 -49.81 75.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.946 HD13 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -65.43 -30.55 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -56.53 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.733 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -32.9 65.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.289 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.413 ' CG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -62.81 -45.54 92.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.675 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 55' ' ' LEU . 3.4 mm? -72.76 -34.66 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.814 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.96 -47.33 78.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.759 HG21 ' HE2' ' A' ' 28' ' ' LYS . 12.7 t -70.29 -33.87 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.161 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.745 ' CG2' HD21 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -72.27 -34.62 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.723 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -71.7 -34.42 69.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.038 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.61 -42.81 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 58' ' ' VAL . 12.1 t -68.87 -36.77 78.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 117' ' ' VAL . 0.9 OUTLIER -64.43 -52.21 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 66' ' ' ILE . 40.8 mt-30 -58.84 -47.24 85.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.689 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.93 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.521 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.4 ttm -67.05 -48.92 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 63' ' ' GLN . 5.0 mt -64.62 -39.03 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -63.05 -45.93 89.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -32.19 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.636 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.909 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -62.05 -45.57 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.778 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.82 59.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -49.0 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.44 -43.73 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.5 t -58.9 -51.51 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.909 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -56.7 -56.27 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -70.94 -30.63 66.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 29.8 mm -74.17 -48.42 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.86 HG23 HD12 ' A' ' 62' ' ' LEU . 8.3 p -60.25 -42.39 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.041 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.421 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -65.78 -47.73 73.24 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.341 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -35.14 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 124' ' ' VAL . 4.4 tt -67.63 -52.19 41.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.758 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.01 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -60.21 -51.91 67.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -40.47 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 120' ' ' LEU . 24.7 t -67.7 -35.83 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.29 99.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.14 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.66 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 32' ' ' LEU . 6.8 tt -69.46 -49.8 51.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.6 t -69.8 -35.32 74.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.383 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -67.73 -41.58 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.946 HD13 HD13 ' A' ' 51' ' ' LEU . 1.2 tt -60.96 -51.16 70.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.2 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.987 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 13' ' ' ILE . 7.5 tp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.048 0.451 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -112.54 -31.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -66.71 -32.7 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.56 ' CB ' HD11 ' A' ' 13' ' ' ILE . . . -66.41 -40.99 89.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.41 -44.56 92.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -69.03 -30.85 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.19 -51.68 26.58 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.414 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -68.0 -46.33 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.359 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 25' ' ' ILE . 10.3 mttt -57.6 -51.32 70.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -54.66 -44.23 73.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.7 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.41 -36.51 84.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.463 HD12 HD11 ' A' ' 120' ' ' LEU . 43.5 mm -59.35 -50.78 78.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.17 -52.11 54.75 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.534 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.4 ' HA ' HD12 ' A' ' 30' ' ' LEU . 59.3 t -56.63 -27.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.052 0.454 . . . . 0.0 110.208 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.774 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.5 OUTLIER -69.75 -54.93 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.13 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.4 mm? -58.37 -30.89 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 27' ' ' VAL . 7.4 mt -70.0 -50.24 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -36.76 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.676 HD12 ' HG2' ' A' ' 54' ' ' GLU . 6.4 tt -65.06 -49.51 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.81 -37.12 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.53 -41.87 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -81.18 -30.42 34.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD13 HD21 ' A' ' 127' ' ' LEU . 4.1 tt -66.41 -40.36 89.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -51.95 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.5 -44.42 97.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.61 -19.74 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.396 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -56.31 17.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.179 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.27 -52.71 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.3 m -90.63 117.52 29.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 45' ' ' GLU . 0.6 OUTLIER 57.32 101.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -92.39 47.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 12.0 mm-40 -130.66 -44.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -32.92 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 131' ' ' LEU . 4.2 pp -67.31 -39.7 85.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.527 ' N ' HD12 ' A' ' 47' ' ' LEU . 39.6 m-85 -64.45 -45.39 87.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.694 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -49.75 75.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.9 t -58.81 -37.97 77.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.748 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 47' ' ' LEU . 2.6 mm? -64.06 -42.79 96.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -58.43 -45.93 87.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.646 ' O ' HG22 ' A' ' 57' ' ' THR . . . -68.33 -29.37 73.12 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.29 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.676 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -78.12 -32.46 50.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.935 0.398 . . . . 0.0 110.723 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.1 mm? -75.8 -34.93 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -73.26 -47.45 42.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.774 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.2 t -60.03 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.634 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.629 ' O ' HG22 ' A' ' 61' ' ' THR . 9.2 p -60.83 -39.84 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.642 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.067 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.51 -43.19 77.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.609 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 58' ' ' VAL . 5.3 t -71.17 -34.34 70.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 120' ' ' LEU . 2.9 mm? -63.16 -49.63 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.64 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -43.97 97.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.74 94.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.523 ' CE ' HG22 ' A' ' 117' ' ' VAL . 3.1 ttp -60.28 -44.55 95.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.669 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.0 mt -71.01 -29.89 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -56.24 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD11 ' HB1' ' A' ' 113' ' ' ALA . 12.1 mt -67.68 -48.89 65.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.878 0.37 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.04 -43.32 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -59.45 -48.99 79.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -63.23 -45.72 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 t -60.53 -45.18 94.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.873 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.47 -45.25 95.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.54 -24.74 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -70.66 -46.56 63.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.019 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.831 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -69.58 -37.25 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.1 t -59.89 -53.32 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.539 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.13 99.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.002 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -36.82 83.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 0.0 110.507 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 62' ' ' LEU . 5.2 tt -66.01 -56.83 9.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -67.85 -42.22 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.453 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -66.07 -46.75 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.428 HG23 HD23 ' A' ' 120' ' ' LEU . 38.5 t -58.65 -41.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.61 -40.81 97.85 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.312 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.28 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 32' ' ' LEU . 5.8 tt -68.43 -47.11 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.01 -47.64 85.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -61.71 -35.16 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.668 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -44.34 92.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.604 HD11 HD13 ' A' ' 47' ' ' LEU . 4.7 tt -60.57 -45.37 94.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.04 77.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.06 -51.1 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.723 179.902 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.2 tp . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.809 0.337 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.462 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.5 p -60.26 -33.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -81.3 -36.11 30.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.676 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.14 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.96 -49.35 78.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.746 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -30.52 47.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.86 30.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.35 -42.0 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.398 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -60.04 -51.33 70.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.11 -38.25 79.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -59.17 -40.64 86.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.609 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -40.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 120' ' ' LEU . 39.8 mm -61.4 -36.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -52.5 10.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.51 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -56.93 -27.19 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.683 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -71.93 -50.9 25.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.022 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.1 mm? -60.17 -36.45 77.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -50.24 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.785 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.02 -29.42 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.757 HD13 ' HG3' ' A' ' 54' ' ' GLU . 40.9 tp -73.82 -45.89 48.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.19 -44.49 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.1 -41.86 97.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -37.4 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 HD13 ' A' ' 47' ' ' LEU . 28.9 tp -67.15 -37.46 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -55.92 27.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.5 -47.73 84.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.43 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 111.068 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -80.47 -30.99 37.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -70.56 -72.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -117.84 -144.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.359 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -161.07 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.294 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.64 -29.71 63.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -50.59 73.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.306 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.804 HD13 HD11 ' A' ' 36' ' ' LEU . 2.1 pp -66.42 -33.31 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.82 -50.34 73.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.399 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -66.4 -48.94 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -56.47 -40.61 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.784 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.981 HD11 HD21 ' A' ' 127' ' ' LEU . 1.8 mm? -62.7 -43.63 98.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.374 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -37.75 72.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 109.966 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.73 -43.7 95.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.174 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.757 ' HG3' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -63.78 -29.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.328 . . . . 0.0 110.687 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.4 mm? -73.46 -37.64 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.8 -47.54 45.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.683 HG21 ' HE2' ' A' ' 28' ' ' LYS . 9.6 t -61.04 -46.9 88.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG22 HD23 ' A' ' 62' ' ' LEU . 9.9 p -63.72 -38.29 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.788 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -36.94 79.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 110.325 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.81 -43.34 75.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.83 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.676 HG21 HD11 ' A' ' 25' ' ' ILE . 2.4 t -69.94 -28.04 65.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.678 HD23 HG22 ' A' ' 58' ' ' VAL . 2.9 mm? -70.39 -43.31 70.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -70.97 -31.37 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -55.97 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptm -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.963 HD11 HG11 ' A' ' 117' ' ' VAL . 29.0 mm -65.35 -34.34 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.25 -43.63 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.756 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.6 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.795 HD11 ' HB1' ' A' ' 113' ' ' ALA . 4.0 mt -69.74 -59.86 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.455 ' CA ' HG22 ' A' ' 111' ' ' ILE . 1.4 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.54 -42.58 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.481 ' HD2' HD23 ' A' ' 69' ' ' LEU . 26.3 mmt85 -79.22 -44.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.76 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -61.96 -40.06 85.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.5 p -64.37 -44.08 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.896 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.3 -46.41 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 69' ' ' LEU . 3.7 mm? -68.29 -31.19 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -65.66 -46.6 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -67.56 -36.92 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.963 HG11 HD11 ' A' ' 66' ' ' ILE . 57.9 t -57.94 -53.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.52 99.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.873 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.25 -31.91 71.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.008 0.432 . . . . 0.0 110.391 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 25' ' ' ILE . 6.1 tt -67.89 -55.54 12.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.539 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -37.82 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.614 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -41.37 98.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.385 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -49.66 74.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.1 t -59.48 -38.93 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.45 96.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.103 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.02 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.736 0.303 . . . . 0.0 110.711 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.981 HD21 HD11 ' A' ' 51' ' ' LEU . 8.1 tt -63.44 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.6 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -63.77 -36.33 83.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.473 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.98 -45.29 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.502 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.49 HD12 ' HG ' ' A' ' 51' ' ' LEU . 2.5 tt -61.61 -44.91 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.02 92.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.78 98.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.647 179.759 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.781 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.81 0.338 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.76 -34.4 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -32.52 74.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.812 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.52 72.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.16 -41.39 88.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -68.97 -30.36 46.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.58 22.86 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.01 -42.66 98.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HD13 ' A' ' 25' ' ' ILE . 71.0 mttt -63.69 -47.13 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.813 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.59 -32.64 69.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.01 -46.25 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -69.18 -38.41 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.479 HD11 HG21 ' A' ' 61' ' ' THR . 1.4 mp -60.74 -45.75 97.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -52.13 42.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.509 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 24' ' ' ALA . 24.5 m -56.53 -27.3 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.229 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.71 ' HE2' HG21 ' A' ' 57' ' ' THR . 16.1 tttp -69.73 -49.46 52.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.85 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.16 -39.09 85.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.789 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.1 -48.96 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.96 -32.78 73.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.553 HD12 HD21 ' A' ' 127' ' ' LEU . 2.9 tm? -63.26 -52.79 60.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.99 -42.46 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -39.86 95.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.785 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.82 -33.31 60.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 131' ' ' LEU . 1.5 tp -65.46 -37.61 87.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.71 -51.03 71.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.0 -44.13 69.15 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.409 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -59.65 -29.24 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -52.41 62.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.43 -30.54 37.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 m -61.04 -76.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -137.07 -94.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.05 -34.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.698 0.285 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.78 61.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.99 70.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.276 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 2.1 pp -71.97 -33.41 68.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -44.71 96.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -47.17 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -59.96 -40.57 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.851 HD22 HD13 ' A' ' 131' ' ' LEU . 10.8 tp -64.77 -42.98 94.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -59.46 -51.2 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . . . -63.52 -29.46 74.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.505 ' HG2' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.01 -37.65 78.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 110.928 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.6 mm? -73.94 -34.9 64.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -74.15 -47.59 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.75 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.71 HG21 ' HE2' ' A' ' 28' ' ' LYS . 10.1 t -61.43 -46.74 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 61' ' ' THR . 9.9 p -64.34 -41.16 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.563 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 58' ' ' VAL . 28.2 mttm -57.95 -34.0 69.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.105 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.34 -47.21 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.878 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 58' ' ' VAL . 4.2 t -66.34 -37.52 85.53 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.922 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 120' ' ' LEU . 3.0 mm? -62.81 -45.97 90.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.63 98.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.26 97.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.195 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.65 ' CE ' HG22 ' A' ' 117' ' ' VAL . 9.1 ttp -60.7 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.9 mm -61.98 -29.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.91 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.69 -30.42 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.021 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.842 HD11 ' HB1' ' A' ' 113' ' ' ALA . 13.8 mt -72.2 -49.75 33.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.9 -27.78 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.276 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -71.9 -49.17 40.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.7 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.239 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.0 m -64.06 -36.56 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.9 -51.59 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.321 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.16 -37.92 81.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.78 -46.51 75.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.238 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.789 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -63.9 -37.71 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.065 -179.773 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 113' ' ' ALA . 88.4 t -60.57 -56.96 14.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.63 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.9 92.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.108 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.98 -33.31 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.613 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 62' ' ' LEU . 5.6 tt -70.94 -57.05 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.73 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -35.29 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -53.31 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.46 -32.34 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.64 -47.32 78.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.222 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.71 71.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.349 . . . . 0.0 110.829 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 127' ' ' LEU . 2.7 tm? -63.92 -49.68 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.813 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.79 -41.81 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.2 p -61.51 -38.65 88.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.851 HD13 HD22 ' A' ' 51' ' ' LEU . 7.9 tt -60.69 -41.44 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.43 81.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.54 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.19 97.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.751 0.31 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -71.26 -31.52 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -111.37 -67.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.82 98.16 2.43 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.417 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.21 -15.58 46.48 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.521 2.148 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -111.81 171.37 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -131.15 -57.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -120.33 -57.21 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' HB3' HG11 ' A' ' 14' ' ' VAL . 75.4 m-20 -131.91 128.23 38.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -162.48 -53.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -39.32 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.51 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.6 tp -61.06 -45.66 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 18' ' ' VAL . 12.5 p -69.79 -31.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.823 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.0 -27.87 43.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.476 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.26 -35.62 27.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -33.4 75.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.797 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 14' ' ' VAL . 39.3 t -76.32 -32.05 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -52.07 37.19 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.553 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.3 -44.25 72.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.342 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 25' ' ' ILE . 61.0 mttm -59.44 -51.04 71.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.52 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.72 -49.1 68.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -39.12 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.118 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.45 -37.05 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.869 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 21' ' ' LYS . 15.0 mm -58.67 -51.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.54 -52.05 51.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.88 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 24' ' ' ALA . 29.9 m -56.29 -27.04 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.889 0.376 . . . . 0.0 110.503 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.779 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -70.05 -55.06 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.72 -29.38 70.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.38 -50.28 47.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.693 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -68.22 -37.14 80.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.38 -51.8 53.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -57.37 -51.29 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -36.48 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -28.29 46.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.593 HD11 HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -66.91 -54.24 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.02 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -50.93 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.68 84.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.598 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.778 ' HB1' ' HB3' ' A' ' 46' ' ' ALA . . . -74.85 -19.96 59.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.691 0.282 . . . . 0.0 111.449 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -58.69 6.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.38 -1.63 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.466 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -85.07 -76.22 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.298 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -132.71 3.86 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.617 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.822 ' HA ' HD21 ' A' ' 47' ' ' LEU . 5.8 p-10 43.62 29.9 0.31 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.488 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 -35.77 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.778 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . . . -58.69 -34.27 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.088 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.822 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -72.8 -31.64 64.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.804 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.93 -48.33 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -66.24 -41.88 89.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.736 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -41.57 97.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.715 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 131' ' ' LEU . 1.2 tp -63.2 -43.42 98.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.07 -51.64 68.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.607 ' O ' HG22 ' A' ' 57' ' ' THR . . . -69.25 -29.34 72.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.42 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -33.35 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 110.721 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.3 mm? -75.09 -34.83 61.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.02 -47.63 50.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 0.0 110.809 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.779 HG21 ' HE2' ' A' ' 28' ' ' LYS . 6.5 t -62.51 -48.1 81.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.735 HG22 HD23 ' A' ' 62' ' ' LEU . 6.1 p -59.01 -42.44 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -58.33 -39.58 79.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -60.52 -45.55 93.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.557 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.681 HG22 ' O ' ' A' ' 58' ' ' VAL . 11.9 t -71.07 -31.86 68.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.735 HD23 HG22 ' A' ' 58' ' ' VAL . 1.3 mm? -70.92 -33.92 71.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.636 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' ' 66' ' ' ILE . 51.3 tt0 -71.26 -47.92 54.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 ttp -69.75 -51.47 33.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.835 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -61.66 -35.16 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.63 -42.95 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -66.47 -29.69 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.884 HD21 ' HB3' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -80.92 -29.89 35.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.84 96.36 24.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -51.21 138.86 44.89 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.5 2.133 . . . . 0.0 112.328 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.84 32.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.63 127.82 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.63 165.97 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.28 -68.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.33 144.47 15.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.68 166.56 20.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.93 30.94 20.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 t -127.96 83.06 2.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -164.67 92.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 t -128.88 -49.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -125.64 133.02 24.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.17 121.31 6.43 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.496 2.131 . . . . 0.0 112.305 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 t -122.74 135.48 54.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.54 139.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.23 -53.94 36.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.545 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.11 112.53 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.744 0.307 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -44.92 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -157.25 63.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.46 -34.73 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.2 -31.29 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.58 167.55 21.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -30.51 69.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 94' ' ' VAL . 23.0 m -94.86 102.67 9.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.33 102.15 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.42 2.08 . . . . 0.0 112.302 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.2 125.02 50.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.7 -147.32 16.36 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 m -147.83 145.35 28.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.75 152.88 5.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 60.11 31.21 20.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.96 158.7 9.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.424 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.1 p -86.82 -41.21 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.43 107.39 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.405 ' HG2' ' HG3' ' A' ' 110' ' ' ARG . 62.3 Cg_endo -73.46 -45.0 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.4 2.067 . . . . 0.0 112.345 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.665 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 0.6 OUTLIER -178.51 -177.7 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.497 ' O ' HD12 ' A' ' 105' ' ' LEU . 1.7 t -57.06 147.65 54.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.28 81.44 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.533 2.155 . . . . 0.0 112.254 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.85 -53.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.665 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . . . -82.61 -31.61 28.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.405 ' HG3' ' HG2' ' A' ' 104' ' ' PRO . 0.5 OUTLIER -59.09 -49.1 79.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.3 mp -66.55 -43.83 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.9 t -58.92 -47.4 85.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.884 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -57.44 -54.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -23.13 67.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.713 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.38 -46.76 69.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 113' ' ' ALA . 2.1 tp -69.47 -36.75 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 113' ' ' ALA . 53.9 t -58.61 -50.94 77.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.617 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.03 92.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.011 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.18 -32.67 73.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 62' ' ' LEU . 5.7 tt -69.93 -56.89 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.446 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -31.2 62.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -44.75 74.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.572 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -39.19 93.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.775 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 120' ' ' LEU . 46.0 t -64.42 -43.09 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.9 -47.2 92.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.339 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.87 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.973 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.605 ' CD2' HD11 ' A' ' 51' ' ' LEU . 8.0 tt -66.13 -41.97 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.743 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -43.63 98.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 m -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -41.55 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.765 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 51' ' ' LEU . 5.3 tt -66.45 -45.98 77.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.85 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.72 81.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.81 -43.78 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.042 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -43.46 93.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.3 -46.3 90.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.758 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.79 -35.52 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -39.67 84.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -81.11 -30.82 34.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -74.88 -30.76 61.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.33 22.72 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -112.65 -34.22 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.804 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.63 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 98.9 p -75.29 -50.95 14.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? 68.09 -69.72 0.14 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -105.07 103.51 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.72 -30.08 68.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' HD3' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -155.56 115.62 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.92 148.11 16.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.2 -32.97 95.07 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.553 2.168 . . . . 0.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.6 t90 -108.31 115.17 29.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' A' ' 4' ' ' PHE . 8.5 ptmt 179.52 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.023 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -131.16 20.18 4.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.264 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.42 99.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.809 0.338 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.1 t -123.72 -46.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -34.48 23.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.486 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.4 tp -68.95 -45.11 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 13' ' ' ILE . 12.1 p -59.41 -41.57 84.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.432 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -65.34 -30.8 71.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.92 -36.49 64.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -58.89 -48.43 81.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.3 -33.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.48 -51.62 52.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -38.45 90.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.581 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -70.6 -37.43 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.755 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 25' ' ' ILE . 37.0 t -65.29 -35.54 81.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -48.47 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -69.77 -47.17 63.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.397 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 21' ' ' LYS . 1.7 tp -58.43 -41.08 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.379 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -66.94 -52.17 34.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.633 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 24' ' ' ALA . 9.0 p -56.72 -27.1 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.453 . . . . 0.0 110.274 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 1.045 ' HE2' HG21 ' A' ' 57' ' ' THR . 30.2 tttp -72.89 -54.91 7.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.051 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -58.73 -38.9 79.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.07 -45.72 84.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -40.2 96.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.679 HD11 HD12 ' A' ' 51' ' ' LEU . 13.1 tp -62.61 -38.9 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.614 ' HG2' HD21 ' A' ' 127' ' ' LEU . 0.9 OUTLIER -64.04 -45.42 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -38.65 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.49 -31.33 63.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 47' ' ' LEU . 4.8 tp -66.88 -50.29 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -49.68 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.46 -42.87 97.37 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.73 -24.6 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.742 0.306 . . . . 0.0 111.223 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -54.24 43.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.064 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.48 -33.45 36.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -70.75 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -150.18 117.55 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.779 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.831 ' HA ' HD21 ' A' ' 47' ' ' LEU . 10.8 p-10 -84.47 52.96 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.62 -45.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.35 79.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.01 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.831 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -63.96 -41.67 97.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.82 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.614 ' CE1' HD11 ' A' ' 131' ' ' LEU . 39.8 m-85 -60.3 -50.25 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.742 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.62 -42.77 86.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -60.84 -43.92 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 32' ' ' LEU . 1.9 mp -63.1 -37.44 87.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.724 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -55.01 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.688 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.77 -33.24 85.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.235 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.83 ' O ' HG22 ' A' ' 57' ' ' THR . 0.7 OUTLIER -68.28 -59.83 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.2 mm? -53.83 -36.95 63.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 111.158 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 1.045 HG21 ' HE2' ' A' ' 28' ' ' LYS . 4.2 t -66.83 -30.8 71.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -73.26 -34.82 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.472 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.46 -46.16 77.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.313 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.29 -48.08 62.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.171 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 58' ' ' VAL . 4.0 t -59.17 -42.61 91.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.82 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.03 HD21 HD23 ' A' ' 120' ' ' LEU . 1.9 mm? -61.21 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.362 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.98 -39.5 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.96 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.482 ' CE ' HG22 ' A' ' 117' ' ' VAL . 7.0 ttp -60.19 -49.32 78.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.7 mm -64.36 -42.1 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -41.52 93.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -37.62 64.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.625 HD11 ' CB ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -61.57 -51.23 69.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.677 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.99 91.43 2.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.795 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.41 122.94 10.49 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.45 2.1 . . . . 0.0 112.376 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.3 p -138.02 30.2 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt 59.65 175.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.89 -56.09 1.47 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.17 68.29 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.3 36.92 0.3 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.78 172.17 13.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.89 31.08 20.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.8 m -71.43 -50.73 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.18 139.29 58.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.2 m -88.03 -51.88 5.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -165.77 83.14 1.05 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 117.87 5.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.528 2.152 . . . . 0.0 112.27 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.1 t -126.49 92.96 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -155.99 -179.02 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.61 33.92 5.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.32 138.88 37.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.06 -175.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -96.08 40.29 1.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 p -87.36 -31.28 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -33.53 75.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.04 -66.16 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.2 158.64 22.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t 64.19 134.91 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.56 149.78 30.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.429 2.086 . . . . 0.0 112.286 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -96.18 159.23 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.13 172.95 37.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.56 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 t 60.87 107.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -97.3 39.18 2.85 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.74 148.22 48.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.63 -82.76 0.29 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.09 104.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 113.78 26.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.786 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.36 -43.77 54.58 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.361 2.041 . . . . 0.0 112.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 109' ' ' ALA . 1.6 pp -156.25 171.02 20.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -59.54 164.77 4.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 47.3 Cg_endo -68.59 63.35 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.631 2.22 . . . . 0.0 112.284 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.3 t -127.96 -48.95 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.658 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -81.59 -36.7 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.07 -47.6 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -59.89 -43.38 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 111' ' ' ILE . 4.6 m -65.23 -35.74 81.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.698 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.56 -57.28 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.19 -28.57 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -69.3 -46.54 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.796 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -71.07 -36.92 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 113' ' ' ALA . 46.8 t -58.1 -54.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.715 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.92 -41.66 99.67 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.072 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.554 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 1.03 HD23 HD21 ' A' ' 62' ' ' LEU . 12.1 tp -68.32 -52.13 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.623 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -59.3 -32.59 70.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.742 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.33 -42.43 75.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.769 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.33 -54.68 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.579 HG11 HG11 ' A' ' 58' ' ' VAL . 27.4 m -64.39 -37.12 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.06 -35.95 92.64 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.155 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.71 -36.04 67.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.793 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -63.75 -49.72 71.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -63.26 -40.6 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.0 t -60.25 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.406 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -33.94 75.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' A' ' 48' ' ' PHE . 2.6 tm? -62.76 -44.4 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.7 88.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 67.4 m -66.98 -31.53 72.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.727 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -59.71 -54.84 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.726 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -65.53 -33.11 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -45.0 94.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -77.07 -38.78 51.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -62.75 -42.95 99.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.35 -31.16 62.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -66.97 -34.8 78.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.49 -30.47 61.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 p -79.39 -40.14 30.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.29 -76.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.777 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.903 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.53 91.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.75 -36.48 76.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -78.82 -28.76 44.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.86 134.56 4.01 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -77.55 57.06 5.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.53 2.154 . . . . 0.0 112.516 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.3 m95 53.92 -176.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.63 20.55 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -178.53 -71.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.772 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.08 52.1 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 m -131.33 -66.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -24.33 61.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.99 -15.56 17.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.429 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.1 p -48.29 -27.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.405 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.75 -32.49 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -39.58 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.07 -44.55 94.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.785 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 14' ' ' VAL . 30.1 t -64.06 -34.36 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.003 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.17 -51.66 42.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.389 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.59 -39.81 94.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.621 ' O ' HD13 ' A' ' 25' ' ' ILE . 19.3 mttt -66.25 -40.96 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.8 t -62.81 -37.68 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.83 -44.33 85.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.716 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -70.58 -39.75 73.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.674 HD11 HG21 ' A' ' 61' ' ' THR . 1.4 mp -60.72 -44.53 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.748 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.27 -52.27 42.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 24' ' ' ALA . 23.8 m -56.91 -27.28 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.091 0.472 . . . . 0.0 110.125 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -69.52 -46.52 66.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.748 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.2 mm? -62.34 -36.66 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.41 -50.0 71.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.47 -29.91 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.774 HD21 HD12 ' A' ' 51' ' ' LEU . 1.1 tt -70.48 -52.25 23.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.04 -44.17 94.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.33 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -82.2 -29.79 31.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD11 HD12 ' A' ' 131' ' ' LEU . 1.6 tt -66.52 -54.2 26.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.37 -39.14 82.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.12 -52.37 18.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.15 -21.55 66.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.418 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.75 7.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.281 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -80.56 -30.32 37.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -76.52 -75.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -129.56 104.98 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.402 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -66.04 -14.03 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.12 -29.7 19.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.782 0.325 . . . . 0.0 111.034 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.36 -31.29 63.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD1' ' NH1' ' A' ' 135' ' ' ARG . 34.6 t80 -67.42 -50.27 60.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.776 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -38.74 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 12.5 t -63.92 -45.91 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.814 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.774 HD12 HD21 ' A' ' 32' ' ' LEU . 2.3 tp -62.62 -41.2 98.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -34.36 75.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 110.019 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.57 -36.27 82.96 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.073 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HA ' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -72.66 -29.74 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.9 mm? -72.02 -40.48 68.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.44 -47.4 60.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 54' ' ' GLU . 12.5 t -62.96 -46.79 86.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.696 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.665 ' CG2' HD21 ' A' ' 120' ' ' LEU . 6.0 p -64.91 -37.58 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -34.94 76.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.153 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -69.2 -45.24 70.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.674 HG21 HD11 ' A' ' 25' ' ' ILE . 1.3 t -64.61 -33.96 77.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.837 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.995 HD11 HD22 ' A' ' 120' ' ' LEU . 8.4 mt -76.02 -32.41 59.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -67.03 -36.39 82.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.378 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.55 61.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 ttp -62.04 -50.36 72.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 67' ' ' LEU . 4.6 tp -59.82 -44.71 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.598 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -63.36 -34.53 77.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -35.58 75.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.827 HD11 ' HB1' ' A' ' 113' ' ' ALA . 11.4 mt -74.38 -34.03 63.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -85.97 162.6 46.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.785 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.4 170.91 12.55 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.591 2.194 . . . . 0.0 112.269 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.63 -47.46 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.794 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.62 103.09 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.01 119.07 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.21 138.39 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.47 29.83 6.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -142.75 -175.05 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.31 42.33 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.4 t -97.2 39.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.77 -31.99 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.11 -35.51 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 60.57 89.61 0.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -51.28 160.26 2.37 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.583 2.188 . . . . 0.0 112.25 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 m -87.73 -49.58 7.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.46 143.43 49.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.61 -49.45 78.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.36 119.3 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 89' ' ' GLU . 4.1 pt20 -141.3 165.74 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 4.3 tt0 81.08 -51.19 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 t -100.33 -33.63 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -46.9 40.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.45 -175.18 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.049 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.1 mp -96.09 -38.38 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.7 t -106.06 121.4 45.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.15 165.77 30.32 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.423 2.082 . . . . 0.0 112.29 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -78.76 170.73 16.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.27 34.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.87 171.9 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 172.04 124.0 0.74 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.407 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.19 154.53 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.56 -106.0 3.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.9 m 61.24 102.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.409 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -60.93 111.0 3.46 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -51.79 -28.55 30.87 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.473 2.115 . . . . 0.0 112.287 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.584 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 0.8 OUTLIER -167.02 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.404 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 8.4 p -82.27 165.52 42.16 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 39.5 Cg_exo -60.42 82.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.767 2.311 . . . . 0.0 112.231 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -157.36 -44.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.584 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . . . -81.97 -28.88 32.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.44 -48.38 34.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 pp -55.35 -40.61 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.5 t -63.81 -34.68 78.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.877 0.37 . . . . 0.0 110.755 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.894 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.76 -52.75 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.406 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -40.18 81.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.219 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -63.32 -46.5 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.776 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -65.25 -36.71 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.124 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.975 HG13 HD22 ' A' ' 62' ' ' LEU . 88.8 t -58.95 -52.06 65.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.726 0.298 . . . . 0.0 110.534 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.88 -46.25 92.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.852 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -36.01 82.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 110.309 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.995 HD22 HD11 ' A' ' 62' ' ' LEU . 6.7 tt -61.71 -56.98 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -32.48 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -38.9 91.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.724 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -54.88 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.13 -39.35 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.593 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.38 96.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.79 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.77 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.462 HD12 HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -59.1 -41.71 88.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.42 179.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.85 -48.85 67.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.598 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -44.4 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.734 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -38.07 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.795 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 51' ' ' LEU . 7.0 tt -66.12 -40.62 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.46 86.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.46 94.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.93 -39.06 87.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.448 ' NH1' ' CD1' ' A' ' 48' ' ' PHE . 6.0 mtp180 -60.53 -52.18 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.662 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -65.62 -36.62 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.84 -41.84 92.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -78.67 -30.75 46.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.02 -32.7 61.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.31 -36.58 61.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -60.03 -31.56 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.3 79.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.1 m -99.95 34.27 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.41 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.53 77.67 1.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 1.8 tp10 -87.29 -26.61 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 17.3 p90 43.68 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.427 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.69 169.18 16.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.552 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.34 62.63 2.75 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.603 2.202 . . . . 0.0 112.26 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -157.22 87.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.64 19.39 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.44 -31.29 5.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t0 64.49 96.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.655 ' O ' HG12 ' A' ' 14' ' ' VAL . 5.3 p -150.25 -50.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -90.81 -41.35 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tp -61.41 -29.56 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 11' ' ' SER . 13.6 p -56.85 -32.77 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -61.23 -31.76 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.61 -48.19 56.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.78 -48.67 79.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 14' ' ' VAL . 28.2 t -67.63 -30.24 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.37 -51.68 30.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.716 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' HD13 ' A' ' 25' ' ' ILE . 36.6 mttt -69.6 -46.7 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.709 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.41 -37.79 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -41.59 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.54 74.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.496 HD13 ' O ' ' A' ' 21' ' ' LYS . 1.4 mp -60.55 -46.56 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.11 -52.03 47.99 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.597 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -56.67 -27.19 25.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 0.0 110.218 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.691 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.4 OUTLIER -68.29 -54.09 19.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.015 179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.0 mm? -58.87 -31.15 68.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.67 -50.33 18.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -30.38 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD21 ' HG ' ' A' ' 51' ' ' LEU . 4.4 tt -72.6 -52.99 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -61.27 -42.78 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.99 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.69 -35.03 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.783 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -81.57 -28.34 33.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.7 tt -68.94 -39.59 79.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -52.21 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.02 -44.7 60.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.513 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -58.3 -26.46 63.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.209 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -56.55 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -80.44 -30.94 37.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -68.36 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -156.79 119.16 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.61 -23.46 67.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 -31.56 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -51.16 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.0 pp -71.21 -31.94 68.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.23 -49.01 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.714 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -65.36 -47.36 76.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -45.47 91.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.711 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -66.82 -33.76 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -58.79 -50.24 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.644 ' O ' HG22 ' A' ' 57' ' ' THR . . . -74.74 -29.13 61.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.185 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.35 79.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.963 0.411 . . . . 0.0 110.662 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.788 HD11 HG11 ' A' ' 124' ' ' VAL . 1.3 mm? -78.16 -36.02 48.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.631 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -66.79 -44.31 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.72 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.691 HG21 ' HE2' ' A' ' 28' ' ' LYS . 8.2 t -68.13 -45.46 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.796 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.538 ' HA ' HG22 ' A' ' 61' ' ' THR . 0.3 OUTLIER -62.25 -34.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.769 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -66.67 -45.46 78.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.434 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.44 -49.28 56.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.235 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.661 HG23 HD22 ' A' ' 62' ' ' LEU . 5.2 t -56.59 -45.15 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.107 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.91 ' CD1' HG22 ' A' ' 117' ' ' VAL . 4.1 mm? -67.94 -34.41 76.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.78 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -41.2 99.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.551 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.8 -39.08 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.852 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.564 ' HG2' HD11 ' A' ' 69' ' ' LEU . 3.8 ttp -64.54 -51.4 63.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.766 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tt -59.27 -36.03 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -38.14 80.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.583 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -76.62 -26.64 55.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.987 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' A' ' 65' ' ' MET . 12.6 mt -81.34 -25.01 36.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.342 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.482 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -53.33 -55.2 36.86 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.259 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 70' ' ' GLN . 22.7 Cg_exo -64.32 73.27 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.537 2.158 . . . . 0.0 112.162 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 110' ' ' ARG . 61.5 p -146.17 39.78 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.6 125.58 54.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 142.43 53.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.81 82.09 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.94 86.32 1.39 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.552 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -163.05 135.82 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.75 -45.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.2 p -58.83 -63.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.44 111.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.0 t -130.12 -51.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -146.08 99.14 4.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.73 144.84 61.12 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.491 2.127 . . . . 0.0 112.252 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.1 m -112.29 -41.58 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.18 175.1 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.0 104.68 2.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 92' ' ' ALA . . . -77.74 -39.43 44.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.77 36.83 19.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 90' ' ' THR . 2.1 mt-10 -112.35 -76.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -167.42 -51.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 pm0 -60.94 -30.95 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . . . -96.81 -77.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.78 154.23 50.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.76 144.53 93.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.99 160.79 5.59 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.561 2.174 . . . . 0.0 112.288 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? 59.08 170.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.66 124.96 8.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.55 -175.5 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -130.55 83.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -156.45 171.33 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.53 128.26 3.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -175.45 101.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m 60.86 111.19 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.572 ' HB2' HD23 ' A' ' 105' ' ' LEU . 23.9 Cg_endo -62.58 -58.48 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.331 2.021 . . . . 0.0 112.311 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 109' ' ' ALA . 2.0 pt? -158.91 172.39 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.9 165.07 8.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.73 91.07 1.01 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.616 2.21 . . . . 0.0 112.349 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t -159.63 -45.04 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.797 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -74.2 -35.85 63.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.5 ' HD3' HG21 ' A' ' 72' ' ' THR . 5.5 mmm-85 -67.71 -49.17 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -66.62 -44.71 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.8 t -62.93 -32.67 74.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 116' ' ' ILE . . . -71.2 -39.24 71.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -30.58 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -71.33 -46.91 59.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.725 HD12 ' N ' ' A' ' 117' ' ' VAL . 2.5 pp -63.85 -42.22 95.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.91 HG22 ' CD1' ' A' ' 62' ' ' LEU . 25.1 t -57.89 -55.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.861 0.363 . . . . 0.0 110.217 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.16 -27.3 59.93 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.642 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -74.82 -46.25 37.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.58 0.228 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 124' ' ' VAL . 2.7 pp -73.5 -47.75 38.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 111.031 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -59.1 -45.34 91.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.1 ttm-85 -61.09 -46.79 89.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.93 -37.35 76.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.518 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 120' ' ' LEU . 37.8 t -68.74 -37.68 77.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.78 -49.56 77.25 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.231 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.22 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.22 -42.78 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.772 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -39.41 93.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -47.18 87.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.589 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.61 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.741 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.572 HD12 HD22 ' A' ' 51' ' ' LEU . 1.3 tt -67.94 -45.53 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.686 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.7 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.5 64.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.12 -46.79 55.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.775 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -68.2 -32.21 72.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -67.13 -47.27 71.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.74 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -63.01 -40.32 97.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.97 73.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -32.03 64.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -50.44 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.83 -34.63 77.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.94 73.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -46.51 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.79 111.54 23.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 4' ' ' PHE . 25.3 m -163.94 -61.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 68.12 20.08 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 5' ' ' GLY . 11.8 p90 -134.23 -40.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.045 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . 75.81 -117.56 5.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.564 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.72 72.07 2.55 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.421 2.081 . . . . 0.0 112.293 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -85.18 123.45 30.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.788 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -76.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -150.12 -67.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -176.52 37.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.777 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.5 20.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.64 -31.58 6.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.6 tp -60.74 -45.01 98.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.493 ' N ' HG23 ' A' ' 13' ' ' ILE . 10.3 p -63.12 -26.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -81.62 -32.14 32.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.82 86.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.81 -40.22 91.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.14 -34.55 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.71 -51.66 52.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.206 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.25 -45.45 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.367 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.2 mttm -59.38 -51.18 71.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.613 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.78 -45.03 70.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -45.1 77.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -36.81 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.632 HD11 HG21 ' A' ' 61' ' ' THR . 50.8 mm -59.24 -51.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.16 -52.19 53.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -56.96 -27.06 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.094 0.473 . . . . 0.0 110.088 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.742 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -69.9 -55.07 10.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.155 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.766 ' CD1' HD12 ' A' ' 127' ' ' LEU . 4.2 mm? -59.49 -32.94 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -50.26 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -67.98 -38.63 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.706 HD23 HD13 ' A' ' 127' ' ' LEU . 17.4 tp -64.84 -39.66 93.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -33.32 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -31.33 26.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.713 ' CD1' HD12 ' A' ' 131' ' ' LEU . 10.3 tp -69.68 -39.36 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.4 mt -72.4 -51.08 21.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.71 -49.59 75.98 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.614 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -62.06 -28.9 69.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 111.371 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -59.26 4.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -30.21 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 m -73.7 -63.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.417 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -162.22 126.09 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.502 ' HA ' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -78.68 51.4 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.139 -179.684 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.98 -45.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.25 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.602 ' HB2' HD12 ' A' ' 36' ' ' LEU . 3.4 pp -58.87 -41.52 87.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' N ' HD12 ' A' ' 47' ' ' LEU . 10.0 m-85 -65.83 -37.44 86.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -44.58 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.623 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.9 m -62.42 -44.12 97.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.845 HD22 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -63.3 -38.26 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.654 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.14 -55.54 33.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.696 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 57' ' ' THR . . . -67.08 -28.96 73.94 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.193 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -75.22 -33.89 61.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.675 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.1 mm? -76.38 -34.94 58.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -73.88 -47.32 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.504 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.742 HG21 ' HE2' ' A' ' 28' ' ' LYS . 14.2 t -61.13 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.665 HG22 ' CD2' ' A' ' 62' ' ' LEU . 9.7 p -68.17 -34.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.399 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.62 77.39 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.48 -32.8 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.632 HG21 HD11 ' A' ' 25' ' ' ILE . 54.0 m -60.9 -45.3 95.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.476 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.665 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.8 mm? -65.46 -48.55 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.445 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.687 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -60.06 -41.15 91.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.608 179.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.439 ' CE ' HG22 ' A' ' 117' ' ' VAL . 0.2 OUTLIER -60.82 -38.44 85.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.708 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 63' ' ' GLN . 8.2 mt -71.84 -37.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.94 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -53.54 42.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -30.62 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.591 HD11 ' HB1' ' A' ' 113' ' ' ALA . 26.0 mt -74.3 -60.06 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.25 146.08 97.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.89 149.1 27.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.526 2.151 . . . . 0.0 112.367 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.96 -31.13 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -114.32 89.08 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.56 -35.72 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 61.22 112.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.0 -118.5 5.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 60.65 97.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.71 -43.61 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -148.97 114.69 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.84 178.54 6.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 p -124.69 156.41 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -99.84 149.27 35.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.41 154.23 11.91 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.509 2.139 . . . . 0.0 112.351 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 p -151.69 126.1 9.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.12 -51.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.04 -78.0 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.538 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.29 147.31 30.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.069 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -165.93 89.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -165.68 -64.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 t -103.16 -34.56 8.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.93 -46.32 45.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.773 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.45 132.24 51.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.06 156.38 33.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.793 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.582 ' O ' HG13 ' A' ' 94' ' ' VAL . 7.1 p 31.72 83.83 0.19 Allowed Pre-proline 0 N--CA 1.467 0.422 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.129 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.97 115.05 3.6 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.514 2.143 . . . . 0.0 112.23 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 95.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.89 62.21 4.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -90.35 176.06 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.98 135.08 2.27 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -103.77 -63.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.95 -69.95 2.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 102' ' ' THR . 9.8 t -161.77 99.81 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.09 132.85 11.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.72 -39.41 83.64 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.504 2.136 . . . . 0.0 112.304 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 1.054 HD11 ' HB3' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -164.66 -176.86 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.665 ' O ' HD12 ' A' ' 105' ' ' LEU . 68.6 p -70.46 163.99 58.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.054 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.31 80.15 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.832 2.355 . . . . 0.0 112.206 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.1 m -151.38 -49.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.717 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.054 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -83.46 -41.24 18.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -74.78 -39.06 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.65 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -55.76 -45.59 79.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.49 ' N ' HG23 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -64.53 -32.83 74.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.909 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.05 -46.43 81.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.804 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.54 -28.89 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -66.24 -46.66 76.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.785 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -68.69 -36.78 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.984 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 113' ' ' ALA . 46.6 t -58.1 -49.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.611 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.29 90.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.975 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -35.34 78.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.486 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.458 HD23 ' C ' ' A' ' 120' ' ' LEU . 4.0 tt -62.35 -56.78 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.678 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -33.23 64.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -67.21 -46.2 74.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.34 -43.98 92.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 120' ' ' LEU . 30.6 t -62.56 -39.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.37 -37.77 95.17 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.319 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.83 -38.43 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.766 HD12 ' CD1' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -70.93 -49.66 43.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -31.37 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.628 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.4 p -70.67 -39.34 73.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.559 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -33.45 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.845 HD13 HD22 ' A' ' 51' ' ' LEU . 9.1 tt -67.99 -49.0 64.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.03 90.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.47 82.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.93 -38.85 87.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.779 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -62.89 -45.08 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -37.25 83.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.53 -40.29 96.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.84 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -67.24 -55.58 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.6 -30.08 69.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -61.8 -48.39 80.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.27 -24.72 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.344 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 26.5 m -66.25 -14.14 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.432 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -51.07 -30.19 15.14 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 111.238 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.14 94.32 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.1 -40.47 86.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -100.25 -67.22 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.71 -86.01 0.41 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.16 -61.67 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.566 2.177 . . . . 0.0 112.351 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -132.22 84.23 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -52.78 15.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -165.02 -59.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.3 31.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 36.3 t -121.6 144.92 48.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.413 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.1 OUTLIER 81.8 -22.76 0.24 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.645 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -91.33 -36.03 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 15' ' ' SER . 11.0 p -63.49 -44.99 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -65.32 -31.67 72.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.15 -37.24 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.15 -45.71 87.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 14' ' ' VAL . 22.0 t -62.28 -41.13 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.68 -51.79 53.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -43.47 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.599 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 25' ' ' ILE . 50.4 mttm -58.48 -49.9 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.636 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.88 -49.03 69.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 mt-10 -53.95 -40.22 66.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.98 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.763 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 120' ' ' LEU . 33.5 mm -58.17 -51.4 71.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.75 -52.39 53.43 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.547 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 23' ' ' GLU . 44.7 t -57.72 -27.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.117 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.713 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -72.41 -55.02 7.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.104 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.95 -27.41 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -50.15 41.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.27 -38.75 85.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.659 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 32' ' ' LEU . 6.3 tt -65.83 -37.67 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -47.34 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -81.0 -39.81 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD22 HD21 ' A' ' 127' ' ' LEU . 46.3 tp -63.28 -47.44 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -50.82 72.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -67.65 -40.53 90.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.538 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 47' ' ' LEU . . . -73.65 -16.84 61.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.483 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -58.74 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.338 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 42' ' ' SER . 49.6 p90 -79.99 -48.96 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.392 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 5.2 p -96.71 128.26 43.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 95.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 -13.59 42.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -85.46 -33.43 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.43 HD12 HD11 ' A' ' 131' ' ' LEU . 2.6 pp -62.88 -35.88 81.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -58.98 -50.33 74.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.55 -44.82 70.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -56.05 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.021 HD22 HD13 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -62.61 -40.38 96.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -55.44 -37.86 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.553 ' O ' HG22 ' A' ' 57' ' ' THR . . . -70.56 -38.19 68.48 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.155 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -69.82 -29.82 67.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD11 HD23 ' A' ' 51' ' ' LEU . 5.2 mt -77.1 -34.94 56.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.308 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -70.5 -47.61 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.099 0.476 . . . . 0.0 110.507 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.713 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.2 t -63.05 -46.52 87.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.99 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.678 ' O ' HG22 ' A' ' 61' ' ' THR . 6.1 p -61.13 -44.41 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.678 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 58' ' ' VAL . 13.3 ttmt -58.14 -34.76 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -65.07 -44.42 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 58' ' ' VAL . 6.0 t -70.8 -30.21 66.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.869 HD12 HG23 ' A' ' 117' ' ' VAL . 1.1 mm? -70.22 -46.33 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.302 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' ' 66' ' ' ILE . 3.9 mm-40 -64.07 -36.21 83.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.529 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.19 92.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.437 ' HG2' HD12 ' A' ' 69' ' ' LEU . 24.6 ttp -58.73 -54.99 40.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 63' ' ' GLN . 6.3 tt -58.19 -32.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -43.46 95.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.43 -33.85 58.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.772 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 113' ' ' ALA . 1.6 mt -61.29 -38.43 86.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -100.92 138.96 20.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.34 -20.94 27.31 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.549 2.166 . . . . 0.0 112.475 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.42 85.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.12 131.81 38.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -177.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.29 155.02 43.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.58 121.49 4.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 59.92 93.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.938 0.399 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.21 105.74 14.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 m -106.58 -65.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.772 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.1 87.07 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -109.35 -26.24 10.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.435 ' CB ' ' CD ' ' A' ' 83' ' ' PRO . 16.2 m-85 -165.89 -64.3 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 82' ' ' TYR . 22.5 Cg_endo -61.6 125.49 16.87 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.387 2.058 . . . . 0.0 112.331 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.1 p -114.55 -45.08 3.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.86 107.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' A' ' 87' ' ' ALA . . . 115.85 104.35 2.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 86' ' ' GLY . . . 72.93 -60.1 0.55 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.688 0.28 . . . . 0.0 111.374 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 63.37 38.42 10.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.67 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.63 79.03 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.0 m -85.41 -37.17 20.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.35 -32.93 74.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.12 158.51 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.8 91.3 8.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.6 m -110.6 153.06 43.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.54 161.19 46.92 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.618 2.212 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.22 -38.82 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -130.64 141.12 12.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m 60.13 94.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.733 0.301 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.26 -172.09 24.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -128.09 176.31 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -90.59 -76.12 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 t -173.5 108.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.4 m -59.29 110.69 2.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.49 -32.13 33.53 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.385 2.056 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 109' ' ' ALA . 2.0 pp -171.7 176.92 3.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.819 ' O ' HD12 ' A' ' 105' ' ' LEU . 17.6 p -59.16 155.74 32.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 39.2 Cg_endo -66.55 69.94 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.459 2.106 . . . . 0.0 112.365 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 p -136.02 -47.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.85 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -83.33 -30.52 27.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.995 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -47.15 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.424 HD11 ' O ' ' A' ' 107' ' ' PRO . 1.3 mp -64.66 -45.99 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.4 t -59.36 -51.36 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.75 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.616 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -57.4 -54.47 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -27.4 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -71.33 -30.78 66.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 25.2 mm -73.07 -48.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.869 HG23 HD12 ' A' ' 62' ' ' LEU . 8.4 p -59.71 -42.04 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -63.4 -58.13 12.58 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -39.02 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 120' ' ' LEU . 5.7 tt -60.91 -55.87 27.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -33.97 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -64.59 -40.09 94.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -53.42 55.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.592 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -61.14 -33.23 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.805 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.53 -53.47 45.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.355 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.73 85.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.51 HD11 HD22 ' A' ' 32' ' ' LEU . 1.8 tt -64.64 -44.25 91.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.27 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -35.29 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.69 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -65.9 -41.15 91.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.724 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.021 HD13 HD22 ' A' ' 51' ' ' LEU . 9.1 tt -64.2 -49.22 72.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.718 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.66 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.59 -55.1 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.28 -35.99 80.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -48.22 70.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -66.99 -47.96 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.82 -45.51 93.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.64 92.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -69.75 -39.48 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.44 -37.5 74.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -30.12 69.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.0 -26.11 61.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.226 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.44 29.16 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.25 -47.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.828 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 82.2 mttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.91 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -137.87 136.95 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.943 0.402 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.6 pm0 -97.96 36.97 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -177.04 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.44 ' N ' ' HD3' ' A' ' 6' ' ' PRO . . . 58.48 61.51 7.32 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.65 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 5' ' ' GLY . 22.6 Cg_exo -64.67 -54.95 0.61 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.135 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -161.25 127.69 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -159.24 87.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.61 -46.05 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -120.61 30.29 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 4.0 m -103.61 110.98 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 11' ' ' SER . 40.4 m170 74.92 -47.26 0.62 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.621 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp -60.3 -29.86 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.791 0.329 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.673 HG23 ' NE2' ' A' ' 68' ' ' GLN . 13.2 p -61.02 -39.67 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -73.3 -33.27 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.53 74.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.36 -41.08 92.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 14' ' ' VAL . 23.6 t -69.8 -30.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.75 -51.68 39.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.73 -34.21 77.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' HG22 ' A' ' 25' ' ' ILE . 45.0 mttp -68.24 -30.09 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.766 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HA ' HG22 ' A' ' 25' ' ' ILE . 8.5 t -76.14 -38.44 56.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.673 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -70.15 -47.35 62.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.472 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.01 74.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 21' ' ' LYS . 4.6 tp -58.26 -39.34 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.013 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -52.56 46.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.019 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.74 -27.14 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 109.883 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE2' ' CB ' ' A' ' 57' ' ' THR . 39.5 tttp -70.74 -54.85 10.17 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -30.77 71.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.026 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -46.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -63.36 -43.69 96.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.885 HD13 ' HG2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -60.61 -44.9 95.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.53 -49.73 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -34.01 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.39 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.222 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 36' ' ' LEU . 3.1 tt -73.12 -42.76 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.154 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -52.16 -50.39 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.06 -52.84 16.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.677 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.55 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.635 0.255 . . . . 0.0 111.498 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.411 ' CE ' ' O ' ' A' ' 40' ' ' MET . 7.0 tpt -51.52 -59.66 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.421 ' CE2' ' HA2' ' A' ' 38' ' ' GLY . 29.3 p90 -80.69 -30.31 36.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.247 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -70.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.221 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.02 107.1 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.885 ' HA ' HD21 ' A' ' 47' ' ' LEU . 39.2 t0 -83.26 53.27 2.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 -43.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.604 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -33.9 72.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.885 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -72.96 -34.85 66.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.36 -50.26 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.653 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.59 -43.22 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.1 p -63.18 -35.89 81.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.523 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.756 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -63.19 -46.01 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.626 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -57.84 -53.75 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.61 -51.35 54.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.885 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -55.82 -37.89 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.786 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.946 HD11 HG11 ' A' ' 124' ' ' VAL . 3.3 mm? -63.91 -45.71 88.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -33.03 71.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.438 ' CB ' ' HE2' ' A' ' 28' ' ' LYS . 87.3 m -65.64 -53.74 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.798 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.914 HG23 HD13 ' A' ' 120' ' ' LEU . 13.2 p -67.84 -34.78 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.979 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -69.84 -45.48 67.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.171 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.28 -42.67 75.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.654 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.5 t -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.888 HD21 HD12 ' A' ' 120' ' ' LEU . 17.9 mt -68.77 -35.98 77.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -60.72 -41.09 94.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.55 79.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.512 ' HE2' HD23 ' A' ' 62' ' ' LEU . 2.7 ttp -61.58 -47.0 87.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.76 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.834 ' HA ' HD12 ' A' ' 69' ' ' LEU . 19.0 mt -61.53 -46.36 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.3 -34.58 72.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.692 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.673 ' NE2' HG23 ' A' ' 14' ' ' VAL . 12.0 tt0 -75.83 -30.35 58.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.739 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 66' ' ' ILE . 6.0 mt -73.41 -33.06 64.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -105.66 94.68 9.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.03 89.7 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.402 2.068 . . . . 0.0 112.39 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 -46.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.04 126.78 42.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.05 99.27 3.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 59.74 88.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.31 -149.41 42.53 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.552 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -88.34 -69.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.31 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.24 83.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m 60.48 158.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.42 133.49 41.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.34 172.74 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.29 114.09 3.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -51.21 124.06 13.25 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.511 2.14 . . . . 0.0 112.357 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.8 m -139.33 110.94 7.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -166.96 126.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 160.24 104.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.17 159.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -91.18 -34.41 15.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.764 ' O ' HG22 ' A' ' 94' ' ' VAL . 1.9 tt0 172.26 98.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.762 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 m -128.13 -44.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.985 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.82 -40.58 84.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.27 -78.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.736 HD12 ' HD3' ' A' ' 95' ' ' PRO . 3.7 pp -161.47 148.23 14.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 89' ' ' GLU . 27.6 t -103.34 92.59 4.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.231 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.736 ' HD3' HD12 ' A' ' 93' ' ' LEU . 55.4 Cg_endo -69.6 -45.46 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.463 2.109 . . . . 0.0 112.328 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.11 35.2 21.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -175.16 73.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.8 t -103.81 -38.26 7.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 178.71 -172.2 44.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.551 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -70.04 -62.62 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 62.15 149.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.2 98.7 4.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 107.59 19.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.63 -39.99 6.07 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.474 2.116 . . . . 0.0 112.37 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.746 HD21 ' HD3' ' A' ' 110' ' ' ARG . 5.6 tp -71.78 146.44 48.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -141.07 167.09 18.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.694 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 42.6 Cg_endo -67.7 64.59 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.536 2.157 . . . . 0.0 112.12 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.456 ' HA ' HD11 ' A' ' 111' ' ' ILE . 18.7 p -177.33 -36.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.73 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.746 ' HD3' HD21 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -78.18 -49.05 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.938 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 108' ' ' SER . 0.8 OUTLIER -63.55 -34.66 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 m -66.66 -39.03 88.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.976 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.726 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -72.67 -38.83 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.459 HD22 HD13 ' A' ' 69' ' ' LEU . 4.4 mm? -78.03 -33.95 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.577 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -74.63 -37.07 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.718 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.665 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.37 -45.19 76.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.635 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.878 HG23 HD13 ' A' ' 62' ' ' LEU . 6.9 p -59.64 -47.88 89.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.88 0.371 . . . . 0.0 110.424 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.477 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -61.55 -35.59 91.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.864 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -69.02 -38.24 79.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 110.64 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.914 HD13 HG23 ' A' ' 58' ' ' VAL . 18.0 mt -59.4 -56.23 24.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.423 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.72 -40.27 75.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -60.86 -46.72 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.177 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -62.0 -38.74 89.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.946 HG11 HD11 ' A' ' 55' ' ' LEU . 44.5 t -64.8 -41.4 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.602 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.52 95.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.107 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.91 -34.2 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.1 -47.41 65.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.712 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.03 -29.51 69.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 t -66.68 -49.16 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -61.83 -40.87 96.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.683 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.875 HD11 HD12 ' A' ' 47' ' ' LEU . 5.1 tt -62.0 -39.46 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.623 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.63 81.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.22 -32.33 68.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.726 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.5 -48.86 59.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.715 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -63.1 -37.26 86.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -40.92 86.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.781 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.82 -44.75 61.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -63.83 -30.09 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.94 24.3 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -114.81 -36.92 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.775 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.44 -33.45 67.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.4 m -75.92 -31.99 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -70.68 -46.23 63.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.0 mttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.916 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -109.44 -29.72 8.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.67 31.21 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -165.45 -69.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.89 66.39 2.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -79.05 51.63 3.94 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.69 2.26 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -100.2 -26.49 13.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? 179.5 77.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -149.47 57.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -175.95 159.17 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 77.9 p -124.07 160.53 27.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 11' ' ' SER . 0.1 OUTLIER 77.67 -42.23 0.37 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.682 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -30.28 46.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.828 0.346 . . . . 0.0 111.085 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.515 HG23 ' NE2' ' A' ' 68' ' ' GLN . 11.1 p -54.29 -28.14 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.4 t -73.84 -30.94 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.85 75.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.51 -37.63 78.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -70.41 -31.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.18 -51.58 13.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -36.23 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.54 -41.9 87.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.2 t -60.98 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.94 -43.85 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.96 84.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.776 HD13 HG21 ' A' ' 61' ' ' THR . 1.2 tp -59.39 -40.83 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.63 -52.08 27.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.554 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.34 -27.39 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.944 0.402 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HD2' HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -70.94 -53.03 16.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.964 179.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.89 -31.36 70.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.993 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -49.58 69.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.624 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.76 -37.57 87.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD13 ' HG2' ' A' ' 54' ' ' GLU . 14.8 tp -67.91 -44.21 77.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -57.92 -45.77 86.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -44.26 96.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -30.43 66.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD11 HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -66.06 -53.73 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.6 mt -55.78 -53.79 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.085 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.55 -50.33 67.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -61.22 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG2' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.15 -52.49 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.44 -28.64 37.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -79.87 -66.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -122.38 -143.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.562 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -158.45 -41.05 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.23 -20.64 51.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.91 -51.04 64.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.384 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 48' ' ' PHE . 3.5 pp -62.3 -32.64 73.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' N ' HD12 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -64.43 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.696 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -60.82 -50.94 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -37.79 76.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.767 ' HG ' HD23 ' A' ' 55' ' ' LEU . 6.4 tp -63.28 -43.36 98.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.696 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.99 -52.76 64.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.024 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.45 -36.94 93.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.556 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -71.14 -35.96 71.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.079 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.767 HD23 ' HG ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -69.12 -44.96 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.974 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.34 -43.49 98.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 0.0 110.352 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.555 HG21 ' HD2' ' A' ' 28' ' ' LYS . 58.8 m -56.78 -56.59 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.592 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.829 HG22 ' CD2' ' A' ' 62' ' ' LEU . 12.2 p -58.99 -34.73 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.61 -47.17 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.91 -33.28 74.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.178 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.776 HG21 HD13 ' A' ' 25' ' ' ILE . 21.2 m -62.86 -52.4 63.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.829 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.4 mm? -59.63 -43.06 93.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.489 ' O ' HD12 ' A' ' 67' ' ' LEU . 3.2 mt-30 -63.05 -40.22 97.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.97 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.081 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.7 ttp -59.63 -48.36 81.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.466 HD12 ' O ' ' A' ' 62' ' ' LEU . 8.5 mt -66.98 -42.23 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 63' ' ' GLN . 5.7 mt -63.4 -36.97 85.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.515 ' NE2' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -67.84 -50.52 56.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.642 HD11 ' HB1' ' A' ' 113' ' ' ALA . 13.8 mt -65.63 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -88.34 131.47 42.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.94 121.74 7.56 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.456 2.104 . . . . 0.0 112.347 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.0 p -116.47 26.79 9.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.044 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.15 -37.33 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 60.59 168.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.82 160.87 8.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.37 73.2 1.21 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -90.0 -33.45 16.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.81 38.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 t -77.05 104.17 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.4 97.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.3 m -163.91 -44.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.435 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 0.2 OUTLIER -177.91 -61.67 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.948 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 82' ' ' TYR . 29.9 Cg_endo -63.08 134.48 46.19 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.436 2.091 . . . . 0.0 112.214 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.61 119.62 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.97 120.6 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.56 83.45 1.21 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.49 147.1 27.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.795 0.331 . . . . 0.0 111.071 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.69 43.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 60.63 31.36 20.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.7 p -87.32 -29.79 21.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -30.83 69.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.11 -71.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -165.49 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.483 HG23 ' HD2' ' A' ' 95' ' ' PRO . 9.9 p -56.84 137.88 78.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.483 ' HD2' HG23 ' A' ' 94' ' ' VAL . 16.4 Cg_endo -57.49 160.93 12.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.473 2.115 . . . . 0.0 112.212 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 154.15 17.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.4 95.97 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -141.39 178.54 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.705 0.288 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -172.13 -116.38 0.4 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.17 136.63 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -158.08 31.28 0.49 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 m -101.78 90.96 4.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.402 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.9 p -162.94 113.27 1.06 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.734 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.67 -44.33 4.46 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.456 2.104 . . . . 0.0 112.193 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 110' ' ' ARG . 2.0 pp -170.16 177.02 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 70.8 p -68.54 155.11 93.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 43.7 Cg_endo -68.0 86.7 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p -169.61 -42.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.485 ' HB3' HD13 ' A' ' 105' ' ' LEU . . . -71.61 -44.46 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.596 ' HG2' HD11 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -60.05 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.0 mp -65.81 -46.18 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 t -64.46 -42.61 95.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.892 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.91 -50.23 74.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.16 -28.26 66.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -46.52 75.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -69.94 -36.97 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.938 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.8 t -58.62 -53.3 48.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.493 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.83 99.29 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.754 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -34.81 78.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.972 0.415 . . . . 0.0 110.391 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.647 HD13 HD11 ' A' ' 62' ' ' LEU . 3.9 tt -67.09 -57.04 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.569 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.62 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.699 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -60.63 -52.71 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.87 -41.16 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.14 87.12 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.55 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.94 -36.43 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.86 -48.54 68.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m -64.58 -32.76 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -68.11 -45.94 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.698 HD12 HD11 ' A' ' 36' ' ' LEU . 10.0 tt -62.33 -46.81 87.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.91 94.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.77 75.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -33.5 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -66.48 -48.96 68.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -37.07 80.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.752 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -34.13 68.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.94 -46.36 74.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -73.0 -37.93 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.92 -37.51 87.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -67.57 -32.36 73.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -81.42 -49.36 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.7 t -67.09 -36.8 82.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 11.4 mtp-105 59.7 109.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.82 173.5 15.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -152.27 33.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.01 92.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.32 100.58 1.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.0 63.48 1.35 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.51 2.14 . . . . 0.0 112.216 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -166.5 156.93 12.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -88.67 -70.2 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.38 84.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -104.87 -29.69 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.1 p -95.94 21.6 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -120.47 -38.5 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.0 tp -60.83 -44.89 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.481 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.3 p -66.58 -44.79 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.481 ' N ' HG13 ' A' ' 14' ' ' VAL . 14.8 m -63.11 -31.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.29 92.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.25 -43.73 95.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.08 -37.23 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.55 56.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.4 -34.36 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.78 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -66.14 -41.25 90.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.451 ' O ' HG22 ' A' ' 25' ' ' ILE . 49.0 t -66.1 -38.74 88.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.1 tm-20 -68.17 -40.19 82.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -74.58 -41.11 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.744 HD13 HG21 ' A' ' 61' ' ' THR . 3.5 tp -62.32 -35.34 68.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.031 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.24 -52.25 7.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.383 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 23' ' ' GLU . 16.5 m -56.7 -27.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.046 0.45 . . . . 0.0 110.207 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.577 ' HE2' HG21 ' A' ' 57' ' ' THR . 30.5 tttp -71.97 -53.47 12.93 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.738 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.59 -30.12 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.773 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -49.98 64.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.25 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.947 HD11 HD22 ' A' ' 51' ' ' LEU . 5.8 tp -68.19 -35.91 78.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.733 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.618 ' O ' HD12 ' A' ' 37' ' ' LEU . 2.9 mm-40 -66.44 -46.36 76.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.97 -33.15 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.06 -31.74 27.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 51' ' ' LEU . 7.7 tt -71.46 -34.04 69.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -66.6 -53.27 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.79 -31.52 70.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.34 -15.12 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.639 0.257 . . . . 0.0 111.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -55.57 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.23 -52.66 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 1.4 p -90.24 151.58 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.933 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.428 ' O ' ' CB ' ' A' ' 44' ' ' ASP . 8.4 m-70 64.51 -75.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 5.0 t70 82.21 -51.1 0.22 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.68 -26.59 67.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.71 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.707 ' O ' HD23 ' A' ' 51' ' ' LEU . 1.2 pp -58.85 -32.02 69.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.987 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -67.91 -50.16 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -66.98 -41.99 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.6 p -62.02 -44.61 96.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.947 HD22 HD11 ' A' ' 32' ' ' LEU . 3.7 mm? -63.47 -36.64 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -56.71 18.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.94 92.75 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.29 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.856 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.75 -39.34 80.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.626 179.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.1 mm? -64.72 -35.33 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.548 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.12 -42.0 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.577 HG21 ' HE2' ' A' ' 28' ' ' LYS . 90.0 m -59.51 -53.52 57.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.647 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.802 HG22 ' CD2' ' A' ' 62' ' ' LEU . 8.5 p -59.96 -38.08 75.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.808 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -54.39 -47.43 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.423 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.19 -29.6 67.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.453 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.744 HG21 HD13 ' A' ' 25' ' ' ILE . 47.7 m -66.63 -51.34 57.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.82 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.802 ' CD2' HG22 ' A' ' 58' ' ' VAL . 3.5 mm? -62.86 -43.74 97.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.582 ' O ' HD23 ' A' ' 67' ' ' LEU . 6.4 tt0 -61.72 -38.39 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.29 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.609 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -66.23 -39.77 89.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.4 mt -70.44 -39.68 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 63' ' ' GLN . 3.5 mm? -69.42 -39.37 77.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 65' ' ' MET . 3.4 mt -73.19 -47.83 40.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.87 111.18 50.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.75 -163.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.425 2.083 . . . . 0.0 112.255 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 t -143.6 31.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.65 114.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.97 85.01 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 64.32 -78.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.83 -76.92 0.24 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.33 -55.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.755 0.312 . . . . 0.0 110.821 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -131.51 -46.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.5 -68.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.785 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 58.68 34.6 23.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.43 -74.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 38.2 m-85 -69.11 -60.16 4.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.087 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 82' ' ' TYR . 35.0 Cg_endo -65.02 130.48 25.91 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.277 1.985 . . . . 0.0 112.268 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.3 -47.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.44 160.95 30.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.66 132.94 6.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.3 102.94 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 111.095 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -90.75 88.32 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -176.49 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 p -99.44 -39.79 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.94 -41.5 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -100.44 148.13 25.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.5 tp -67.86 -60.88 2.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.7 m -63.06 139.22 97.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.32 99.88 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.557 2.172 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.24 112.53 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.13 -29.61 7.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.541 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.2 p -116.25 164.35 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.21 178.79 23.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -73.51 97.36 2.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.23 49.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 p -118.85 30.87 6.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.758 0.313 . . . . 0.0 110.983 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -162.43 141.48 7.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.72 -39.71 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.551 2.167 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.819 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 1.3 pp -175.4 170.5 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.6 p -81.41 162.66 57.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.39 85.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 p -165.77 -44.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.819 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . . . -77.86 -43.47 30.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.421 ' HG2' HD11 ' A' ' 105' ' ' LEU . 42.4 mmm-85 -60.97 -49.0 79.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.5 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -65.01 -45.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.9 t -63.22 -37.29 86.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.87 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.9 -48.2 80.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.14 -24.89 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.6 -46.39 63.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.81 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -70.22 -38.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.306 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 113' ' ' ALA . 61.8 t -58.77 -51.25 74.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.07 -43.57 98.97 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.034 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -38.05 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.495 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 62' ' ' LEU . 1.9 tt -63.92 -54.58 32.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -33.15 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.77 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -48.82 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -60.09 -48.73 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.754 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.62 -33.81 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.75 -51.37 59.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.336 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.629 ' CD1' HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -68.78 -45.7 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.56 99.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.0 m -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -65.17 -40.93 94.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.547 HD12 ' HG ' ' A' ' 51' ' ' LEU . 1.2 tt -61.89 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.39 73.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.51 -53.73 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 26.9 p -64.9 -34.21 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -65.55 -45.57 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -62.87 -39.74 95.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -68.24 -37.19 80.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.67 -31.75 62.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -71.06 -38.21 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.67 -43.24 69.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -31.26 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.1 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.5 26.65 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 56.32 -177.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 14.0 mttp . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.9 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.17 -173.26 3.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.52 42.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -167.87 100.18 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.56 143.88 15.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.19 100.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.581 2.187 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -72.33 129.22 37.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.01 76.86 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.772 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -119.05 -30.66 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.211 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.65 116.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.486 ' HB3' HD12 ' A' ' 105' ' ' LEU . 2.9 m -95.77 20.9 9.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.55 -30.69 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.713 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.805 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -71.26 -34.91 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.84 -34.05 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.2 t -69.43 -31.21 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.88 -31.18 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.55 -50.77 70.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -58.68 -30.39 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.08 -51.86 21.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -66.59 -35.11 79.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -69.01 -51.31 40.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.03 -35.94 69.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.64 -46.33 72.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.395 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.889 HD11 HG21 ' A' ' 61' ' ' THR . 27.2 mm -61.01 -46.04 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.29 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.54 -52.33 40.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.675 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.86 -27.44 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.114 0.483 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.803 ' HE2' HG21 ' A' ' 57' ' ' THR . 54.2 tttp -74.73 -55.02 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.53 -29.23 70.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -47.67 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.641 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.42 -35.08 79.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD12 ' HG2' ' A' ' 54' ' ' GLU . 4.9 tt -66.92 -43.19 83.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -48.97 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.072 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.28 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.63 -28.32 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 HD12 ' A' ' 131' ' ' LEU . 7.7 tt -73.08 -37.52 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.61 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 -44.3 61.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.8 -24.21 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.681 0.277 . . . . 0.0 111.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -59.06 3.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -29.58 37.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -81.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.142 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.03 90.55 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.719 ' HA ' HD21 ' A' ' 47' ' ' LEU . 6.1 p-10 -64.74 -23.68 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.2 -24.36 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.337 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.91 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 111.541 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.719 HD21 ' HA ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -60.41 -35.52 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.166 -179.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.43 -50.15 72.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -71.29 -32.27 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -47.82 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.664 HD11 ' CD2' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -63.31 -42.94 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.853 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.67 -54.6 44.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.591 ' O ' HG22 ' A' ' 57' ' ' THR . . . -68.3 -31.28 74.14 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.69 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.47 -30.4 57.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.728 0.299 . . . . 0.0 110.971 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 ' CG1' ' A' ' 124' ' ' VAL . 1.9 mm? -76.2 -35.12 59.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -73.0 -47.02 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 110.547 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.803 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -60.72 -49.33 77.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.873 HG22 ' CD2' ' A' ' 62' ' ' LEU . 11.7 p -60.02 -44.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 58' ' ' VAL . 6.0 mtmt -54.9 -39.76 69.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.467 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -45.02 89.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.889 HG21 HD11 ' A' ' 25' ' ' ILE . 4.3 t -67.95 -34.66 77.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.096 HD12 HG23 ' A' ' 117' ' ' VAL . 0.9 OUTLIER -62.09 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -70.05 -32.29 70.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.79 -55.02 16.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.513 ' SD ' HD13 ' A' ' 62' ' ' LEU . 8.3 ptm -58.0 -49.52 76.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.283 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.518 ' HA ' HD12 ' A' ' 69' ' ' LEU . 20.1 tt -58.68 -36.08 58.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.823 0.344 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.69 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -61.81 -31.79 72.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.78 HD11 ' HB1' ' A' ' 113' ' ' ALA . 10.8 mt -66.26 -45.23 81.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -93.72 103.89 11.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.54 93.16 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.3 p -129.8 26.09 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -148.65 177.28 9.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.77 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -113.62 -35.68 5.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 55.96 30.04 15.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.45 139.57 14.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -146.61 -62.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.87 -46.41 10.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -61.83 137.08 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.09 -47.63 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m 60.96 96.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -70.12 159.5 84.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -61.32 119.86 7.23 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.555 2.17 . . . . 0.0 112.291 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.4 m -83.0 -67.37 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.001 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 58.51 95.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -113.63 -166.76 16.26 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.515 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -127.56 153.1 46.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.57 ' CA ' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -161.12 30.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.37 -60.61 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.23 -54.67 5.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.29 -47.05 74.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.57 ' HB3' ' CA ' ' A' ' 88' ' ' GLN . . . -91.45 144.13 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.1 tp -78.62 -29.39 45.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 94' ' ' VAL . 34.1 m -107.54 115.12 59.85 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.19 -22.87 34.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.406 2.07 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -60.11 3.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 97.14 -71.17 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.409 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 p -151.14 178.38 9.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.823 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.17 177.97 21.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -119.96 -178.99 3.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -112.99 -160.52 14.4 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.396 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -101.37 -32.28 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -114.26 161.61 27.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.67 -28.84 87.62 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.606 2.204 . . . . 0.0 112.196 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.857 HD22 ' HB3' ' A' ' 109' ' ' ALA . 7.2 tt -148.13 157.04 43.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.796 ' O ' HD23 ' A' ' 105' ' ' LEU . 3.1 t -57.07 148.64 49.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.47 91.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.754 2.302 . . . . 0.0 112.297 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.17 -47.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.718 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.857 ' HB3' HD22 ' A' ' 105' ' ' LEU . . . -83.36 -45.91 13.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.645 ' CZ ' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -67.75 -46.51 71.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -62.1 -44.51 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 111' ' ' ILE . 9.7 t -70.34 -36.47 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.78 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -71.93 -38.05 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HA ' HG12 ' A' ' 117' ' ' VAL . 3.7 mm? -77.38 -32.61 55.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.651 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.09 -42.18 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.697 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -70.06 -45.73 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.274 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 1.096 HG23 HD12 ' A' ' 62' ' ' LEU . 7.4 p -58.07 -45.46 88.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.706 0.289 . . . . 0.0 110.514 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.471 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -66.36 -39.4 94.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.791 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.21 -31.13 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.658 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.85 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.3 tp -64.52 -56.59 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -37.57 82.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -55.78 -48.58 75.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -33.93 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 120' ' ' LEU . 42.7 t -65.29 -45.33 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.652 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.36 -45.49 96.33 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.123 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.97 93.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.916 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.664 ' CD2' HD11 ' A' ' 51' ' ' LEU . 9.1 tt -71.16 -39.99 71.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.72 -42.93 99.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 m -65.13 -42.44 93.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -35.61 76.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.747 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.642 HD13 HD22 ' A' ' 51' ' ' LEU . 3.1 tt -69.72 -55.09 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.79 74.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.89 -35.4 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 7.3 m -68.99 -50.23 50.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -38.75 92.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.836 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -67.19 -36.14 81.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -57.82 9.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.36 98.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -59.74 -35.02 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.89 -43.0 14.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.15 -39.91 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.32 -52.18 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.051 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.26 -32.39 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.85 -45.76 70.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m 65.43 -75.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.577 0.227 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 69.01 -64.78 0.31 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.869 0.366 . . . . 0.0 110.67 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -83.07 -32.25 26.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.811 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.91 75.78 1.0 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.475 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.37 -55.49 3.57 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.608 2.205 . . . . 0.0 112.376 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.5 116.24 11.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -54.21 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.84 -50.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.24 89.31 0.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 3.9 t -144.91 149.39 35.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 11' ' ' SER . 1.9 m-70 81.56 -17.82 0.53 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.797 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -64.41 -35.61 74.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.917 0.389 . . . . 0.0 110.719 179.718 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.28 -38.51 79.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.7 m -74.76 -35.24 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.4 -41.53 94.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.9 -32.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.46 -51.86 34.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.292 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.92 -44.4 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.351 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' O ' HG12 ' A' ' 25' ' ' ILE . 24.8 mttt -57.7 -47.82 81.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.417 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.9 -46.55 71.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -58.14 -36.09 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -68.26 -35.07 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.487 HD11 HG21 ' A' ' 61' ' ' THR . 45.8 mm -62.49 -51.2 75.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.47 52.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.403 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.7 m -57.92 -27.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.071 0.462 . . . . 0.0 110.066 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -54.89 6.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.965 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.3 mm? -61.01 -32.41 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -49.65 60.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -66.74 -34.83 78.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD22 ' HG2' ' A' ' 54' ' ' GLU . 24.9 tp -68.17 -43.78 77.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.732 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.7 -49.78 76.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -36.75 78.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.79 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -76.67 -32.05 57.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.708 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.79 HD11 HD12 ' A' ' 131' ' ' LEU . 3.5 tp -62.77 -41.86 99.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.791 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.63 -41.94 95.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -49.91 58.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.567 ' HB1' ' N ' ' A' ' 47' ' ' LEU . . . -59.44 -34.73 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -47.63 85.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -80.49 -31.06 37.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.73 -77.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -145.87 -82.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 176.0 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.06 -42.18 84.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.37 -32.93 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' N ' ' HB1' ' A' ' 39' ' ' ALA . 50.9 tp -63.41 -51.1 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -66.81 -39.25 87.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.799 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -52.24 66.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -39.56 85.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.777 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.973 HD13 HD13 ' A' ' 131' ' ' LEU . 5.7 tp -69.13 -37.64 78.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.77 -56.63 19.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.23 -35.69 92.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.436 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.637 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.96 -47.94 72.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.833 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.815 HD23 ' HG ' ' A' ' 51' ' ' LEU . 1.1 mm? -60.9 -34.77 75.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -66.38 -41.96 88.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.555 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.1 m -63.48 -54.48 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.807 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -56.88 -34.61 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -66.41 -38.84 88.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -69.35 -45.31 69.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 25' ' ' ILE . 2.0 t -64.03 -41.17 97.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.138 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 58' ' ' VAL . 2.2 mm? -65.34 -49.47 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -57.08 -40.52 77.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.66 84.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.616 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -66.32 -46.42 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.88 -39.32 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -41.04 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.738 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -34.93 62.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.833 HD11 ' HB1' ' A' ' 113' ' ' ALA . 6.3 mt -70.57 -42.64 70.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.5 114.7 53.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.728 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.81 133.39 39.39 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.415 2.077 . . . . 0.0 112.373 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.45 88.98 4.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -111.85 -68.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -107.86 -179.17 3.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.44 -49.65 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.0 162.15 9.46 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.74 -169.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.66 179.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.61 157.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.08 -40.46 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 83' ' ' PRO . 23.9 p -72.35 156.54 38.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.746 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.604 ' N ' ' CD ' ' A' ' 83' ' ' PRO . 2.7 p90 -88.63 -32.02 0.39 Allowed Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 82' ' ' TYR . 90.4 Cg_endo -83.6 132.36 5.75 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.836 1.691 . . . . 0.0 112.343 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 t -81.17 120.75 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.042 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 59.68 110.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.233 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.65 51.27 3.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.345 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.42 150.39 7.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.9 89.72 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.9 -51.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 91' ' ' GLU . 11.8 t -99.21 -46.3 5.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 90' ' ' THR . 4.6 mt-10 -69.47 -37.32 77.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.69 151.52 25.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.2 mp -109.72 -44.97 3.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.9 m -83.65 147.01 51.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.69 177.59 7.36 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.563 2.175 . . . . 0.0 112.295 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -89.73 121.63 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.79 -49.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 m -118.44 -46.29 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.17 -115.31 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.49 173.96 6.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 110.817 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 162.88 151.75 6.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.57 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.73 37.33 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.921 0.391 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.7 t -93.79 108.74 36.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.666 ' HG2' HD23 ' A' ' 105' ' ' LEU . 44.4 Cg_endo -68.15 -41.79 6.74 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.483 2.122 . . . . 0.0 112.273 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.666 HD23 ' HG2' ' A' ' 104' ' ' PRO . 0.6 OUTLIER -137.53 176.87 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.783 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.427 ' HB ' ' CD ' ' A' ' 107' ' ' PRO . 26.6 p -59.25 167.18 2.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.427 ' CD ' ' HB ' ' A' ' 106' ' ' THR . 19.0 Cg_exo -66.46 64.06 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.788 2.326 . . . . 0.0 112.314 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.53 -38.7 2.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.651 ' HB2' HD11 ' A' ' 105' ' ' LEU . . . -81.64 -29.27 33.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -49.19 76.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -34.73 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.013 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -61.05 -52.87 63.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.833 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -66.12 -51.09 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.54 -49.09 78.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.85 -39.21 73.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 9.6 mm -60.6 -47.44 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.744 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 113' ' ' ALA . 16.0 t -57.78 -46.73 87.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.36 -50.31 66.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.298 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -40.55 97.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.807 HD21 ' CG2' ' A' ' 58' ' ' VAL . 3.4 tt -63.19 -52.78 60.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -34.55 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -69.41 -40.77 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -44.24 79.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.588 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.517 HG23 HD23 ' A' ' 120' ' ' LEU . 43.1 t -64.99 -40.24 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.43 91.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.176 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.56 98.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.4 tt -68.74 -40.26 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -43.79 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -35.14 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.653 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.523 ' CE ' HD23 ' A' ' 36' ' ' LEU . 32.8 ttpt -64.58 -41.83 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.725 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.973 HD13 HD13 ' A' ' 51' ' ' LEU . 9.3 tt -68.42 -38.86 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.684 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.8 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 -39.97 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.76 -49.21 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -61.52 -43.32 99.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.731 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.59 -42.61 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.88 -40.99 99.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.54 74.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -37.34 65.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.738 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -65.84 -34.47 78.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -67.41 -28.17 67.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.17 -28.4 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 m -106.51 38.01 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.014 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.33 168.56 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 60.9 mttt . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.914 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.74 159.3 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -58.45 -29.49 66.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -110.91 -53.04 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.05 59.76 0.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.672 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.6 -44.34 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.571 2.181 . . . . 0.0 112.274 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -152.11 175.18 12.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 -53.13 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -112.7 61.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -127.96 156.12 43.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.781 ' O ' HG12 ' A' ' 14' ' ' VAL . 19.8 t -166.01 -43.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -57.27 -22.36 41.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -60.65 -26.69 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.102 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.781 HG12 ' O ' ' A' ' 11' ' ' SER . 11.7 p -56.21 -34.55 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.115 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -64.92 -43.16 93.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.27 -38.52 80.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -59.13 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -61.93 -30.6 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.96 -51.83 42.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.5 -48.72 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 110.455 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -50.44 73.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.7 t -53.91 -41.8 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.93 -40.51 89.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.407 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.5 -38.9 85.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.504 HD12 HD11 ' A' ' 120' ' ' LEU . 49.6 mm -59.57 -46.82 92.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.25 -52.41 44.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.581 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 24' ' ' ALA . 22.3 m -56.87 -28.57 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.139 0.495 . . . . 0.0 110.063 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.581 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.8 OUTLIER -73.97 -54.88 6.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.846 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.3 mm? -63.5 -30.04 71.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.46 -50.31 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.382 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -30.76 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.594 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.1 tt -70.22 -43.48 70.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.87 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.93 -36.11 83.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -79.55 -30.6 41.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.443 HD11 HD12 ' A' ' 131' ' ' LEU . 3.1 tp -66.24 -56.36 11.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.27 -58.04 10.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -63.09 -22.05 66.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.696 0.284 . . . . 0.0 111.235 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.446 ' CE ' ' O ' ' A' ' 40' ' ' MET . 6.8 tpt -60.33 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.62 -30.49 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 m -70.92 -75.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -114.8 -143.34 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.438 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.44 -43.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.12 -22.96 51.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.945 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -50.92 69.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.269 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.675 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 4.4 pp -66.32 -38.92 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.796 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.639 ' N ' HD12 ' A' ' 47' ' ' LEU . 35.6 t80 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.795 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.33 -48.1 81.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.737 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -58.91 -37.22 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.764 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.887 ' HG ' HD13 ' A' ' 131' ' ' LEU . 1.2 mm? -63.2 -42.93 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -49.74 76.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.94 92.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.166 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' CG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -71.21 -31.93 68.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.75 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 51' ' ' LEU . 1.9 mm? -69.83 -40.32 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.19 -36.4 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.536 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.581 HG21 ' HE2' ' A' ' 28' ' ' LYS . 78.2 m -65.27 -53.41 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.653 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.5 p -60.04 -34.9 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.02 0.438 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -63.7 -43.0 97.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.772 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.44 -49.66 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 58' ' ' VAL . 4.9 t -60.79 -30.87 70.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.951 HD21 HD22 ' A' ' 120' ' ' LEU . 1.2 mm? -71.22 -42.99 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.521 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.3 tt0 -63.12 -33.24 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.757 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.64 -44.96 61.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.779 ' CE ' HG22 ' A' ' 117' ' ' VAL . 6.8 ttp -60.5 -42.57 96.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mt -69.57 -40.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 63' ' ' GLN . 0.2 OUTLIER -66.89 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -76.53 -32.81 58.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.727 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -76.06 -49.76 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.778 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.67 113.99 7.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.4 -169.43 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.46 2.107 . . . . 0.0 112.31 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.85 48.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.07 102.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -113.51 -37.37 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.77 96.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.56 28.77 2.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -104.77 160.12 15.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.1 -62.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -79.87 150.97 30.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -113.0 139.85 48.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 m -126.97 166.37 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 84' ' ' THR . 4.1 t80 -141.84 117.54 7.05 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 105.45 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.308 2.006 . . . . 0.0 112.383 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 82' ' ' TYR . 77.9 p -120.85 31.9 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.46 96.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.52 39.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.78 111.94 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.335 . . . . 0.0 111.083 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.595 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 1.8 pp0? -147.59 39.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -100.03 -71.83 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.0 p -113.25 -37.51 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.79 -34.7 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 88' ' ' GLN . . . -98.07 131.08 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.55 31.59 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.9 m -120.84 153.71 57.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.35 -39.48 5.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.523 2.149 . . . . 0.0 112.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.5 100.69 10.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.81 -28.48 6.96 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 t -165.2 128.57 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.91 48.31 1.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.52 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -134.29 105.71 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -130.67 140.37 11.71 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.9 p -109.03 -46.11 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -89.91 149.54 42.02 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.763 ' HB2' HD23 ' A' ' 105' ' ' LEU . 57.8 Cg_endo -71.13 -43.58 1.51 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.544 2.163 . . . . 0.0 112.391 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.793 HD11 ' CB ' ' A' ' 109' ' ' ALA . 0.3 OUTLIER -155.51 172.1 18.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.971 179.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.91 163.73 7.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.32 67.02 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.788 2.325 . . . . 0.0 112.115 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.5 p -128.16 -44.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.793 ' CB ' HD11 ' A' ' 105' ' ' LEU . . . -76.06 -54.19 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -59.59 -45.84 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -64.82 -44.89 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.473 ' N ' HG23 ' A' ' 111' ' ' ILE . 24.0 t -66.95 -34.19 77.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.766 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.875 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -68.99 -50.88 45.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -28.55 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -70.33 -46.55 63.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.254 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -67.54 -37.92 79.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.95 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.4 t -59.53 -53.53 47.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.59 99.61 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.084 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.68 -33.83 74.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.675 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.951 HD22 HD21 ' A' ' 62' ' ' LEU . 6.9 tt -61.02 -56.82 16.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -31.71 72.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -57.93 -45.33 86.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.314 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.25 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 120' ' ' LEU . 42.7 t -64.47 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.686 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.6 62.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.072 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.11 82.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.84 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.03 -46.61 67.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.684 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -49.21 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.6 p -64.53 -39.23 93.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -39.83 94.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.782 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.887 HD13 ' HG ' ' A' ' 51' ' ' LEU . 1.3 tt -63.09 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.75 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.26 87.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.99 -44.46 69.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -42.94 98.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.7 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.59 HH11 HD11 ' A' ' 47' ' ' LEU . 41.8 mtp85 -61.47 -48.17 82.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.746 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -65.11 -30.85 71.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.749 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -31.77 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.99 -43.6 43.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -31.26 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -74.67 -37.36 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -72.5 -31.15 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.66 -37.78 87.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.7 m -120.86 30.85 6.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -177.53 -171.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -97.13 154.92 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.34 31.91 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -151.41 -49.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.92 150.52 27.09 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.24 78.6 1.16 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.568 2.179 . . . . 0.0 112.277 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 63.48 140.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.57 80.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.29 -67.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -176.91 37.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.93 -57.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -76.63 -31.84 57.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -69.09 -44.96 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.489 HG11 HD13 ' A' ' 105' ' ' LEU . 12.3 p -63.54 -33.82 63.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -70.61 -31.24 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.62 -47.0 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 t -69.21 -33.08 56.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.98 -51.71 43.26 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.47 -34.03 77.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.903 0.382 . . . . 0.0 110.821 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' ILE . 12.4 mttt -75.07 -37.29 61.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.7 t -63.93 -40.11 95.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 27' ' ' VAL . 34.8 mt-10 -71.02 -51.87 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.32 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.562 HG12 HD21 ' A' ' 120' ' ' LEU . 1.3 tp -58.14 -38.67 69.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.19 -52.25 53.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.869 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.511 HG12 ' CE1' ' A' ' 31' ' ' HIS . 39.5 t -58.58 -27.39 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.188 0.518 . . . . 0.0 109.763 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE2' HG21 ' A' ' 57' ' ' THR . 3.4 tmtm? -62.99 -55.11 28.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.069 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.66 -34.34 74.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.39 -50.2 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' HG12 ' A' ' 27' ' ' VAL . 24.8 m80 -62.5 -32.02 72.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.572 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD11 ' CB ' ' A' ' 54' ' ' GLU . 1.6 mt -60.05 -52.68 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.64 -37.39 86.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -31.52 41.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -47.74 84.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.22 -39.86 94.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -69.76 -50.43 30.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.683 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' CB ' ' HB3' ' A' ' 47' ' ' LEU . . . -71.84 -13.84 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.502 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -53.83 50.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 42' ' ' SER . 23.5 p90 -80.49 -41.82 23.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.437 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 68.9 p -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.85 102.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -83.79 -19.19 35.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.349 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -82.84 -32.64 27.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.847 0.356 . . . . 0.0 110.773 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 3.1 pp -61.95 -33.04 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.696 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -58.99 -50.25 74.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -67.49 -49.43 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.435 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -52.72 -47.12 67.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.584 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 127' ' ' LEU . 2.7 mm? -62.84 -35.93 81.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.296 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -56.31 -41.17 75.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.939 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.2 -39.98 71.46 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.04 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.533 ' CB ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -59.95 -40.71 89.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 0.0 110.643 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -72.42 -34.73 68.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.904 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -64.77 -34.12 77.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.434 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.4 t -79.47 -42.19 25.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 25' ' ' ILE . 6.2 p -66.83 -34.63 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.427 . . . . 0.0 110.607 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -73.43 -43.28 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.225 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.32 -41.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.754 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 58' ' ' VAL . 7.1 t -64.96 -44.2 90.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' A' ' 120' ' ' LEU . 13.4 mt -62.94 -35.43 80.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.1 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.182 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.77 97.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.578 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 69' ' ' LEU . 4.3 ttp -59.78 -52.51 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.762 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.708 ' HA ' HD12 ' A' ' 69' ' ' LEU . 6.5 mt -58.86 -30.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 tp -70.72 -33.33 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.407 HE22 HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -76.54 -37.26 56.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 66' ' ' ILE . 1.6 mt -73.77 -28.1 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -99.94 98.29 7.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.44 103.28 1.25 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.581 2.187 . . . . 0.0 112.366 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p -120.57 59.29 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -67.43 178.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -109.59 151.34 26.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.62 -31.46 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.62 -104.18 3.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.64 -30.97 7.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.77 106.18 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.14 89.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.48 165.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m 60.48 -177.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.66 96.19 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.65 144.9 18.53 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.549 2.166 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.96 129.53 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.1 118.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.24 51.46 0.82 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.596 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.437 ' HB3' HG23 ' A' ' 90' ' ' THR . . . -133.63 173.9 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -75.13 -43.73 51.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -176.67 94.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.437 HG23 ' HB3' ' A' ' 87' ' ' ALA . 17.8 p -110.62 -40.0 4.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.798 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.07 -27.61 65.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.27 -65.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.161 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 tt -162.89 -66.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.4 m -109.05 125.61 31.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.67 -62.49 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.43 2.087 . . . . 0.0 112.249 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -122.21 166.78 14.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.96 43.95 2.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.9 -66.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.56 103.13 0.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -83.93 -29.88 26.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.839 0.352 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.26 -122.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 102' ' ' THR . 6.9 t -175.05 113.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.8 p -152.48 107.44 2.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.708 ' HB2' HD23 ' A' ' 105' ' ' LEU . 18.3 Cg_endo -61.02 -74.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.366 2.044 . . . . 0.0 112.462 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.933 HD11 ' HB3' ' A' ' 109' ' ' ALA . 0.2 OUTLIER -153.87 -178.25 6.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 10.0 t -63.68 144.28 97.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 106' ' ' THR . 36.8 Cg_exo -60.53 88.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.513 2.142 . . . . 0.0 112.229 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.7 p -165.62 -45.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.933 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -82.39 -34.88 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.03 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -60.77 -48.94 79.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.0 mp -62.74 -44.85 99.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.6 t -65.61 -42.94 91.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.575 ' O ' HG12 ' A' ' 117' ' ' VAL . . . -66.7 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.38 -28.09 60.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.38 -46.57 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.661 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -64.53 -46.57 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.708 HG23 HD13 ' A' ' 62' ' ' LEU . 7.6 p -60.86 -43.96 96.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.444 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -65.96 -39.69 95.0 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.621 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.55 -36.34 80.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.925 0.393 . . . . 0.0 110.256 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.828 ' HB3' HD11 ' A' ' 62' ' ' LEU . 7.2 tp -60.3 -50.4 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.489 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -60.11 -40.87 91.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -47.09 87.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 120' ' ' LEU . 38.3 t -69.46 -34.06 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.71 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.76 -39.86 98.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.192 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.77 63.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 110.788 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 51' ' ' LEU . 7.6 tt -67.92 -49.31 62.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.719 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -34.58 78.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.7 m -60.12 -51.14 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -68.05 -30.54 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.491 HD13 ' HG ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -60.07 -55.31 35.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.67 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.965 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.14 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.996 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 5.7 m -70.3 -41.18 73.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 mtm105 -62.19 -49.92 73.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.739 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.43 -39.72 88.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.65 -41.99 71.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.63 94.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -71.03 -39.86 72.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -66.97 -38.67 86.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.799 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -65.14 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.86 -33.81 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.88 -29.8 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 60.44 167.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -117.62 75.89 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -84.93 58.14 4.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -68.66 -37.63 79.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.18 81.68 1.31 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.588 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.74 -40.44 84.65 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.534 2.156 . . . . 0.0 112.275 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 21.2 m95 60.89 106.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -164.51 31.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -91.04 -30.7 16.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -58.71 -67.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.31 23.52 10.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -113.65 -23.66 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.4 tp -60.66 -44.23 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.466 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.9 p -58.91 -36.79 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -75.37 -31.87 60.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -33.74 74.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.59 -32.76 70.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.15 -35.62 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.25 -51.79 54.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.268 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -67.37 -46.71 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.4 . . . . 0.0 110.485 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' O ' HG12 ' A' ' 25' ' ' ILE . 33.5 mttt -57.4 -51.29 70.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.576 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.97 -43.48 69.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.38 -34.93 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.373 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -73.0 -38.95 66.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.947 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 21' ' ' LYS . 39.4 mm -61.46 -35.34 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -52.07 6.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 24' ' ' ALA . 23.8 m -56.51 -27.26 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.403 . . . . 0.0 110.321 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.8 ' HE2' HG21 ' A' ' 57' ' ' THR . 11.6 tttp -74.86 -53.85 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.844 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.09 -35.62 71.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -50.12 53.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.759 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.68 -45.32 93.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.742 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.728 HD13 ' HG2' ' A' ' 54' ' ' GLU . 3.7 tp -63.63 -38.82 92.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.58 -50.96 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.76 -35.85 79.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -31.67 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD2' HD22 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -65.49 -46.72 78.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -53.19 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.23 95.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.32 -17.87 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.65 0.262 . . . . 0.0 111.397 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.62 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.76 -58.07 9.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.789 0.328 . . . . 0.0 110.825 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -79.89 -37.73 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -93.31 100.32 12.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.3 t60 59.96 106.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -80.27 -26.52 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.55 -33.23 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.011 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.27 71.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 40' ' ' MET . 14.0 mt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -69.45 -47.15 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -62.1 -46.72 87.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -46.61 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 131' ' ' LEU . 1.1 mp -66.71 -33.66 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.741 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -52.61 64.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.598 ' O ' HG22 ' A' ' 57' ' ' THR . . . -71.37 -30.24 67.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.384 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.728 ' HG2' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -74.64 -32.87 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.7 mm? -76.92 -34.94 57.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -69.52 -47.34 64.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.8 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.7 t -63.94 -48.93 74.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.735 ' CG2' HD21 ' A' ' 120' ' ' LEU . 1.5 p -59.44 -34.79 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.774 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -36.33 80.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.193 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.54 98.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.653 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 58' ' ' VAL . 14.4 t -71.61 -31.34 66.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.518 HD21 HD22 ' A' ' 120' ' ' LEU . 0.9 OUTLIER -67.67 -43.89 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.712 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' A' ' 66' ' ' ILE . 2.1 mm-40 -71.44 -35.38 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.94 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.537 ' HG2' HD11 ' A' ' 69' ' ' LEU . 5.3 ttp -69.1 -51.26 40.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 62' ' ' LEU . 4.5 tt -58.6 -34.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.32 -38.16 71.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -73.82 -31.55 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD11 ' HB1' ' A' ' 113' ' ' ALA . 6.1 mt -78.83 -53.97 6.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -107.54 97.48 19.89 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.02 -173.48 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.384 2.056 . . . . 0.0 112.314 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -121.89 80.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.65 -175.77 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -129.64 -46.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.94 -75.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.6 -130.01 9.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.56 143.26 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.75 -71.42 0.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 t -98.93 123.66 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -171.77 -70.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -116.31 105.64 12.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.429 ' CB ' ' CD ' ' A' ' 83' ' ' PRO . 1.1 m-85 -72.66 -62.58 1.35 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 82' ' ' TYR . 30.5 Cg_endo -64.03 145.2 89.39 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.327 2.018 . . . . 0.0 112.341 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 m -134.91 97.3 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.24 -33.6 26.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.061 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.66 138.64 48.24 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.61 169.3 17.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.69 105.53 6.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 60.03 36.6 21.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -73.97 -35.7 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -32.43 73.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.51 175.53 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.6 mp -97.68 -31.44 12.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.7 t -66.05 116.29 31.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.62 137.89 49.49 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.468 2.112 . . . . 0.0 112.349 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -178.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.6 -113.2 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 t -97.22 113.48 25.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.6 -29.9 65.0 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -104.21 106.66 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.27 -167.85 34.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -171.12 35.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.333 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -80.59 145.6 59.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.709 ' HB2' HD23 ' A' ' 105' ' ' LEU . 51.3 Cg_exo -53.01 -49.45 17.56 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.496 2.131 . . . . 0.0 112.331 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 104' ' ' PRO . 1.9 pt? -164.75 -179.76 6.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 48.4 p -59.95 154.48 48.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 52.3 Cg_endo -69.35 63.04 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.508 2.139 . . . . 0.0 112.215 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -127.8 -41.6 1.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.624 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -80.77 -29.96 36.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -67.26 -49.16 65.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -60.66 -34.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.73 -42.37 86.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.687 ' O ' HG13 ' A' ' 117' ' ' VAL . . . -72.74 -37.33 67.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.298 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.407 ' HA ' HG22 ' A' ' 117' ' ' VAL . 4.3 mm? -78.64 -33.49 47.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -74.2 -37.62 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.727 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -71.98 -44.78 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.819 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 113' ' ' ALA . 29.7 m -60.17 -45.72 95.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.869 0.366 . . . . 0.0 110.336 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.482 ' N ' HG23 ' A' ' 117' ' ' VAL . . . -61.11 -41.38 99.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.554 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -33.24 73.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.117 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' A' ' 58' ' ' VAL . 4.8 tt -62.47 -56.83 14.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.478 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -56.42 -40.43 74.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -58.79 -43.11 90.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -39.65 88.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.553 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 120' ' ' LEU . 26.2 t -62.97 -43.71 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.86 -49.44 78.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.288 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.85 85.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 tt -70.1 -42.34 72.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.665 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -42.61 97.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.1 m -63.9 -39.25 93.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.701 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.1 -41.67 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.73 HD13 HD22 ' A' ' 51' ' ' LEU . 7.5 tt -65.54 -47.6 75.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.722 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.43 80.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.12 -47.87 80.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.1 m -62.44 -37.54 86.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.644 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -61.21 -52.26 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.754 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -67.09 -30.77 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.59 -47.89 84.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -80.83 -32.47 35.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -71.4 -33.06 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.85 -39.87 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -30.59 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.05 -56.18 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.6 p -98.47 29.07 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.057 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 57.31 -174.48 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 m -145.89 -52.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.13 31.09 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -171.7 111.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.91 105.97 0.57 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' O ' ' CG ' ' A' ' 7' ' ' TRP . 68.7 Cg_exo -51.16 89.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.591 2.194 . . . . 0.0 112.385 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.412 ' CG ' ' O ' ' A' ' 6' ' ' PRO . 63.4 m95 -163.98 -177.96 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -113.91 -49.38 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -168.54 77.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -96.85 122.29 39.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -125.96 88.82 2.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.776 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -165.23 -41.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.5 tp -60.57 -42.93 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.028 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.6 p -63.19 -40.28 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.072 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -73.33 -30.94 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.26 -37.33 57.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.0 -45.55 86.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.6 -29.32 30.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.58 41.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.631 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.21 -34.06 70.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.933 0.397 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' O ' HG22 ' A' ' 25' ' ' ILE . 17.7 mttm -68.4 -48.5 64.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.466 ' HA ' HG22 ' A' ' 25' ' ' ILE . 48.7 t -64.96 -37.09 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.16 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -69.96 -51.94 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.388 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.08 -47.91 72.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.795 HD13 HG21 ' A' ' 61' ' ' THR . 1.3 tp -58.18 -36.95 59.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.14 -52.24 46.12 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.062 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 23' ' ' GLU . 56.8 t -57.43 -27.22 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.08 0.467 . . . . 0.0 109.978 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.821 ' HE2' HG21 ' A' ' 57' ' ' THR . 19.0 tttp -69.2 -54.86 12.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.052 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.92 -42.36 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -45.95 92.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.81 -38.81 92.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.812 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.764 HD12 ' HG2' ' A' ' 54' ' ' GLU . 9.0 tt -63.42 -46.11 87.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.21 -40.63 90.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.06 87.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.05 -35.02 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.559 ' CD1' HD11 ' A' ' 51' ' ' LEU . 3.4 tt -60.08 -40.72 90.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -57.04 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.08 -42.24 68.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.57 67.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.349 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -59.13 5.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.818 0.342 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -78.11 -26.6 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -58.13 -54.21 49.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 -36.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.483 ' HA ' HD21 ' A' ' 47' ' ' LEU . 15.7 t70 76.91 15.51 1.92 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.104 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -114.82 -42.38 3.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 110.369 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.76 83.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.772 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.0 pp -68.22 -32.85 73.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.446 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.645 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -51.78 66.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.627 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.964 HD22 HD12 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -66.6 -40.67 88.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.569 179.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -47.17 84.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . . . -69.98 -30.15 70.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.241 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.764 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.96 -31.74 61.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.789 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.2 mm? -77.12 -34.9 56.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.86 -46.1 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.821 HG21 ' HE2' ' A' ' 28' ' ' LYS . 3.7 t -63.83 -51.1 66.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.599 HG23 HD21 ' A' ' 120' ' ' LEU . 11.7 p -57.69 -39.93 72.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' 58' ' ' VAL . 38.6 mttt -63.87 -39.64 94.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.432 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -38.13 77.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.983 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.795 HG21 HD13 ' A' ' 25' ' ' ILE . 1.4 t -71.56 -30.64 66.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.799 0.333 . . . . 0.0 110.968 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.642 HD22 HG13 ' A' ' 117' ' ' VAL . 24.2 mt -78.11 -34.28 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -36.3 71.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.432 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.12 65.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.693 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' LEU . 3.4 ttp -59.69 -51.06 71.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.816 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -39.13 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.1 -31.5 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -33.83 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -70.64 -56.98 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.75 96.52 5.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.74 -45.32 3.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.364 2.043 . . . . 0.0 112.389 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -160.45 -66.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.66 132.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.3 -177.73 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.63 137.99 36.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.51 121.56 0.58 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.538 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.05 122.59 46.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -108.75 96.67 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t -120.72 -168.53 1.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 61.49 153.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.8 t -82.62 164.55 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.442 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 0.3 OUTLIER -179.01 -61.19 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 82' ' ' TYR . 28.1 Cg_endo -62.53 110.96 1.18 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.426 2.084 . . . . 0.0 112.215 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.5 p -60.31 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.71 -45.99 2.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.34 25.41 5.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.609 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 57.7 166.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.72 55.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 60.4 79.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 t -107.66 -31.78 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -70.79 -30.85 67.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.7 90.31 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.74 159.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.79 93.97 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.81 -179.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.583 2.189 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 152.4 34.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.6 -108.05 3.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.74 174.26 15.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.13 -53.45 14.29 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.09 135.56 51.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.19 -172.63 23.82 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 103' ' ' SER . 10.1 t -162.78 -46.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 102' ' ' THR . 1.1 m 60.03 107.46 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.768 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.4 -47.36 0.4 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.429 2.086 . . . . 0.0 112.447 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 109' ' ' ALA . 1.9 pp -179.86 -177.74 0.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.23 164.71 20.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 87.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.612 2.208 . . . . 0.0 112.255 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 m -164.6 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . . . -81.37 -42.66 20.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.435 ' HG2' HD23 ' A' ' 69' ' ' LEU . 74.8 mtt180 -76.82 -42.22 41.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -60.41 -43.04 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 111' ' ' ILE . 52.0 p -63.77 -39.42 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -59.67 -52.62 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.33 -25.36 67.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.725 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.02 -46.58 70.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.748 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -68.65 -36.68 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.738 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 113' ' ' ALA . 43.4 t -59.03 -48.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.627 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.1 96.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.934 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.93 83.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 124' ' ' VAL . 8.5 tp -61.73 -53.47 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -35.89 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.693 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -65.38 -52.7 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.548 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -59.93 -44.6 94.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.453 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 120' ' ' LEU . 32.8 t -66.41 -34.79 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.768 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.16 48.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.302 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.16 93.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.674 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 127' ' ' LEU . 1.1 tm? -69.58 -33.55 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.659 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.58 ' OE2' HG12 ' A' ' 124' ' ' VAL . 3.8 mt-10 -70.64 -45.05 65.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -44.36 95.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -39.76 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.964 HD12 HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -61.87 -45.06 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.05 89.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.74 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.67 -58.19 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -61.01 -39.77 91.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -64.56 -37.45 87.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -67.1 -36.38 81.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -79.31 -35.69 40.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -38.39 88.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.03 -31.46 72.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -69.78 -52.73 22.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.88 92.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 m -60.18 -31.36 70.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -64.26 130.06 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.899 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.37 89.98 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.759 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -105.76 30.73 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -28.18 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.8 -59.78 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.725 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -42.49 -60.84 0.63 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.83 2.354 . . . . 0.0 112.831 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 3.6 m0 -111.63 136.34 50.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -75.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.754 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -88.9 -46.96 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -178.88 143.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 49.1 m -156.64 144.97 19.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 12' ' ' HIS . 8.8 m170 82.67 -17.74 0.5 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.693 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.833 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -60.53 -33.57 54.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 15' ' ' SER . 10.5 p -62.9 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' HG13 ' A' ' 14' ' ' VAL . 58.4 p -76.01 -36.99 58.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.82 89.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.64 -33.49 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.674 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 t -69.65 -37.07 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.79 47.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.377 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.17 -48.04 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.599 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.4 mttm -60.0 -49.55 77.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.574 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.0 t -53.87 -39.81 66.0 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -47.74 85.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -67.71 -35.42 78.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.976 HD11 HG21 ' A' ' 61' ' ' THR . 25.9 mm -62.6 -42.83 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.28 31.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.367 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 24' ' ' ALA . 26.2 m -56.98 -27.44 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.09 0.471 . . . . 0.0 110.18 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HE2' HG21 ' A' ' 57' ' ' THR . 13.1 tttp -72.36 -55.02 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.022 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.21 -29.39 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.26 -50.31 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.326 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -66.7 -31.01 71.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.676 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.5 tt -66.45 -41.41 89.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.18 -42.43 79.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.94 -31.97 73.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -83.78 -38.54 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 127' ' ' LEU . 6.5 tt -59.12 -47.94 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -45.22 93.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . -70.11 -49.35 34.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.579 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -59.91 -21.41 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.436 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -59.32 5.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 42' ' ' SER . 7.5 p90 -80.61 -29.65 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 28.2 t -73.74 -76.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.056 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.54 113.96 6.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HA ' HD21 ' A' ' 47' ' ' LEU . 3.1 m-20 -65.37 -18.57 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.207 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -72.95 -33.1 65.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.31 -51.01 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.1 pp -64.05 -34.92 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.608 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -60.46 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.792 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.64 -51.15 68.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.9 m -59.35 -40.34 86.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.055 HD13 HD11 ' A' ' 131' ' ' LEU . 0.8 OUTLIER -63.8 -38.44 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.69 -56.38 22.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.5 -32.07 82.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.112 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.98 93.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.713 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.708 HD11 ' CG1' ' A' ' 124' ' ' VAL . 1.2 mm? -67.06 -43.39 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.803 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -63.88 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.55 HG21 ' HE2' ' A' ' 28' ' ' LYS . 45.9 m -68.63 -56.95 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.645 HG22 HD23 ' A' ' 62' ' ' LEU . 6.2 p -62.88 -36.48 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -62.07 -38.84 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.271 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.88 -45.51 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.673 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.976 HG21 HD11 ' A' ' 25' ' ' ILE . 3.7 t -69.85 -27.26 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.713 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.9 ' CD2' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -66.01 -47.98 72.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 179.48 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.616 HE21 HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -65.79 -38.89 90.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.574 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.412 ' CE ' HG22 ' A' ' 117' ' ' VAL . 4.8 ttp -59.94 -49.6 77.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.616 HD11 HE21 ' A' ' 63' ' ' GLN . 36.3 pt -68.35 -31.14 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 67' ' ' LEU . 7.7 tt -66.97 -41.33 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -39.91 68.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.779 HD11 ' HB1' ' A' ' 113' ' ' ALA . 83.6 mt -66.21 -57.07 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -79.69 152.36 75.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.11 126.91 13.6 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.616 2.211 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.2 p -138.49 38.18 2.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -75.1 113.83 12.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.49 158.44 18.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 60.48 30.77 20.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.55 -123.02 24.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -143.34 -47.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.08 40.31 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.023 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 t -141.37 104.12 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.22 142.18 21.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.0 t -135.09 149.37 50.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.33 89.61 36.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.51 112.45 2.84 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.531 2.154 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.39 103.87 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.74 -46.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.62 -131.61 2.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -153.26 116.11 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 111.02 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -72.67 -64.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.98 34.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.1 p -58.49 -30.89 67.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.11 -35.63 80.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.07 -71.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.86 -54.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.34 134.54 19.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.01 -41.27 2.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.454 2.103 . . . . 0.0 112.271 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.73 -76.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.63 -30.28 8.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -55.8 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.05 164.33 27.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.92 -50.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.55 134.02 11.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.443 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 p -151.76 101.42 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.99 114.84 37.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.743 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.49 -26.69 40.26 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.339 2.026 . . . . 0.0 112.386 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.891 HD13 ' HB3' ' A' ' 109' ' ' ALA . 0.2 OUTLIER -67.03 127.47 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.956 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.445 ' HB ' ' CD ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -101.62 174.26 3.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.31 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.445 ' CD ' ' HB ' ' A' ' 106' ' ' THR . 15.6 Cg_exo -68.2 8.22 0.53 Allowed 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.698 2.266 . . . . 0.0 112.83 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -118.56 -29.84 5.32 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.891 ' HB3' HD13 ' A' ' 105' ' ' LEU . . . -70.24 -28.28 65.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.162 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.24 14.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 1.1 pp -64.74 -38.52 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 t -62.75 -40.32 96.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.945 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.92 -50.89 20.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.484 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.58 HD22 HD13 ' A' ' 69' ' ' LEU . 3.3 mm? -66.1 -38.31 87.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.282 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 111' ' ' ILE . 1.4 t30 -65.61 -46.43 79.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.125 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -63.29 -36.89 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.24 . . . . 0.0 110.787 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 113' ' ' ALA . 58.2 t -60.24 -52.15 64.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.0 86.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.998 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 122' ' ' ARG . 0.5 OUTLIER -76.78 -29.11 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.9 HD23 ' CD2' ' A' ' 62' ' ' LEU . 6.9 tp -67.56 -52.38 39.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.946 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.531 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 3.9 ptm180 -55.74 -45.49 77.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.93 0.395 . . . . 0.0 110.022 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.11 96.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.702 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 120' ' ' LEU . 57.3 t -64.88 -35.99 76.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.493 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.03 -50.22 67.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.038 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -40.56 86.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.558 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 36' ' ' LEU . 8.5 tp -69.53 -36.66 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -50.26 70.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.602 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -38.82 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.558 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -63.43 -34.36 77.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.055 HD11 HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.03 -45.82 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.95 91.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.984 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 6.3 m -68.82 -35.34 76.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.656 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -61.37 -51.34 69.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -63.53 -36.36 83.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -70.7 -34.98 72.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.33 -46.43 40.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.37 -38.03 89.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.59 -31.95 60.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.791 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -66.57 -28.85 68.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.48 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.7 m -75.7 -37.04 59.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.89 94.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.291 -0.862 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -142.4 -47.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 70.29 -62.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.94 -149.13 0.42 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.159 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.11 89.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.562 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -79.79 1.38 9.27 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.707 2.271 . . . . 0.0 112.922 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.41 ' CE3' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -118.22 -175.73 2.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.947 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.0 -40.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.33 -55.15 15.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.27 81.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.74 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.61 -30.95 22.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.0 tp -60.95 -45.03 99.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.492 ' N ' HG23 ' A' ' 13' ' ' ILE . 12.7 p -65.81 -38.71 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 m -68.44 -31.81 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.59 91.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.65 -37.36 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.95 -34.72 40.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.18 -51.73 41.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.294 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.22 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.314 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 25' ' ' ILE . 51.6 mttt -58.41 -51.28 70.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -53.84 -46.29 71.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -55.69 -39.75 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.331 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -66.33 -37.2 84.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.902 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.612 HD12 HD11 ' A' ' 120' ' ' LEU . 47.5 mm -59.51 -48.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.006 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.722 ' O ' HD12 ' A' ' 30' ' ' LEU . . . -62.53 -52.38 49.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.509 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.41 HG22 ' HA ' ' A' ' 24' ' ' ALA . 27.3 m -58.05 -27.58 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 57' ' ' THR . 1.5 tptp -74.8 -53.91 8.29 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.989 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.2 mm? -57.81 -30.38 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -71.98 -50.29 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.438 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.28 69.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 127' ' ' LEU . 3.1 tt -70.11 -47.65 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.38 -49.55 77.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.68 -35.96 79.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.751 ' HG ' HD11 ' A' ' 47' ' ' LEU . 4.7 tt -65.0 -49.57 69.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.82 -41.07 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.98 -50.8 27.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.71 -16.93 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.601 0.239 . . . . 0.0 111.512 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.515 ' HE3' ' O ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -58.39 -59.17 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 0.0 110.666 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -50.4 12.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -73.1 86.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 61.15 113.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -73.89 -25.66 60.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.38 -43.19 71.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.85 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HG ' ' A' ' 36' ' ' LEU . 12.8 tp -61.91 -49.85 74.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.764 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -62.43 -45.65 92.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -59.79 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -58.18 -49.81 75.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.946 HD13 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -65.43 -30.55 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -56.53 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.733 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.03 -32.9 65.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.289 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' CG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -62.81 -45.54 92.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.675 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 55' ' ' LEU . 3.4 mm? -72.76 -34.66 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.814 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.96 -47.33 78.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.759 HG21 ' HE2' ' A' ' 28' ' ' LYS . 12.7 t -70.29 -33.87 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.161 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.745 ' CG2' HD21 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -72.27 -34.62 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.723 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -71.7 -34.42 69.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.038 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.61 -42.81 81.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 58' ' ' VAL . 12.1 t -68.87 -36.77 78.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 117' ' ' VAL . 0.9 OUTLIER -64.43 -52.21 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 66' ' ' ILE . 40.8 mt-30 -58.84 -47.24 85.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.689 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.09 -32.93 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.521 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.4 ttm -67.05 -48.92 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 63' ' ' GLN . 5.0 mt -64.62 -39.03 84.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -63.05 -45.93 89.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.738 179.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -32.19 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.636 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.909 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -62.05 -45.57 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -90.71 133.27 32.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.778 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.676 ' O ' HG23 ' A' ' 72' ' ' THR . 55.5 Cg_endo -69.98 -44.74 1.76 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.481 2.121 . . . . 0.0 112.272 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -176.57 106.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -49.66 46.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -139.3 149.21 43.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.57 -65.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.84 -118.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 60.26 102.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -106.6 -56.74 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.25 159.84 25.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.8 110.28 19.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -123.93 -43.02 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -81.01 110.69 18.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -73.19 122.1 7.76 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.458 2.105 . . . . 0.0 112.339 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 85' ' ' ALA . 11.6 t -90.45 -45.41 8.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 84' ' ' THR . . . 59.13 93.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.53 -172.51 15.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.57 -55.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -163.78 -71.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.783 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -134.92 25.6 3.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' ' 95' ' ' PRO . 2.7 m -75.61 -47.47 26.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -59.25 -29.26 67.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.19 -63.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.89 -54.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 94' ' ' VAL . 10.4 p -80.72 111.04 19.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.626 ' HA ' HG23 ' A' ' 90' ' ' THR . 65.5 Cg_endo -73.51 154.17 50.07 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.519 2.146 . . . . 0.0 112.256 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -153.15 150.53 29.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.63 169.33 18.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.588 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.7 m 60.17 106.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -121.13 -42.97 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 65.14 -77.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.825 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.7 -89.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -170.01 121.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.781 0.324 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.5 t -119.29 107.49 41.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.04 -56.19 2.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.422 2.082 . . . . 0.0 112.278 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.994 HD11 ' HB3' ' A' ' 109' ' ' ALA . 0.6 OUTLIER -165.35 -176.78 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.1 p -70.97 157.76 89.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.76 91.51 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.796 2.331 . . . . 0.0 112.215 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.1 t -164.12 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.994 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -74.72 -41.82 59.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -49.0 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.44 -43.73 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.5 t -58.9 -51.51 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.909 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -56.7 -56.27 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -70.94 -30.63 66.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 120' ' ' LEU . 29.8 mm -74.17 -48.42 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.86 HG23 HD12 ' A' ' 62' ' ' LEU . 8.3 p -60.25 -42.39 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.041 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.421 ' N ' HG13 ' A' ' 117' ' ' VAL . . . -65.78 -47.73 73.24 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.341 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -35.14 77.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 124' ' ' VAL . 4.4 tt -67.63 -52.19 41.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.758 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.01 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -60.21 -51.91 67.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -40.47 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 120' ' ' LEU . 24.7 t -67.7 -35.83 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.29 99.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.14 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.66 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 32' ' ' LEU . 6.8 tt -69.46 -49.8 51.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.6 t -69.8 -35.32 74.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.383 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -67.73 -41.58 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.946 HD13 HD13 ' A' ' 51' ' ' LEU . 1.2 tt -60.96 -51.16 70.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.57 -56.2 7.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.987 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 31.9 p -59.94 -38.04 81.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.2 -50.28 74.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -65.13 -32.31 73.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.66 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -63.52 -45.31 91.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.635 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.18 95.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.998 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -63.87 -38.46 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -33.6 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.736 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.43 -29.28 68.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.3 -30.96 65.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.73 -42.04 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.16 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.896 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 6.5 m -99.46 -59.37 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.735 0.303 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 69.45 -64.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.809 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 2' ' ' SER . 32.8 p90 -52.96 -33.77 52.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' HA2' ' HD3' ' A' ' 6' ' ' PRO . . . 63.88 137.46 0.01 OUTLIER Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.455 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA2' ' A' ' 5' ' ' GLY . 6.3 Cg_exo -77.65 56.9 5.78 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.727 2.284 . . . . 0.0 112.156 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -104.16 110.56 22.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tttt 59.73 72.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -106.62 -35.74 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -142.57 176.68 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 90.8 p -151.77 146.56 25.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 11' ' ' SER . 5.5 t60 84.71 -36.35 0.05 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.41 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 13' ' ' ILE . 7.5 tp -69.79 65.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.451 . . . . 0.0 111.052 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -112.54 -31.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -66.71 -32.7 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.56 ' CB ' HD11 ' A' ' 13' ' ' ILE . . . -66.41 -40.99 89.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.41 -44.56 92.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 t -69.03 -30.85 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.19 -51.68 26.58 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.414 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -68.0 -46.33 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.359 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' O ' HG12 ' A' ' 25' ' ' ILE . 10.3 mttt -57.6 -51.32 70.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -54.66 -44.23 73.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.7 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.41 -36.51 84.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.463 HD12 HD11 ' A' ' 120' ' ' LEU . 43.5 mm -59.35 -50.78 78.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.17 -52.11 54.75 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.534 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.4 ' HA ' HD12 ' A' ' 30' ' ' LEU . 59.3 t -56.63 -27.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.052 0.454 . . . . 0.0 110.208 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.774 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.5 OUTLIER -69.75 -54.93 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.13 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.4 mm? -58.37 -30.89 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 27' ' ' VAL . 7.4 mt -70.0 -50.24 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -36.76 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.676 HD12 ' HG2' ' A' ' 54' ' ' GLU . 6.4 tt -65.06 -49.51 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.81 -37.12 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.53 -41.87 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -81.18 -30.42 34.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD13 HD21 ' A' ' 127' ' ' LEU . 4.1 tt -66.41 -40.36 89.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -51.95 37.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.5 -44.42 97.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.61 -19.74 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.396 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -56.31 17.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.179 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.27 -52.71 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.3 m -90.63 117.52 29.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 45' ' ' GLU . 0.6 OUTLIER 57.32 101.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -92.39 47.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 12.0 mm-40 -130.66 -44.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -32.92 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 131' ' ' LEU . 4.2 pp -67.31 -39.7 85.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.527 ' N ' HD12 ' A' ' 47' ' ' LEU . 39.6 m-85 -64.45 -45.39 87.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.694 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -49.75 75.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.9 t -58.81 -37.97 77.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.748 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 47' ' ' LEU . 2.6 mm? -64.06 -42.79 96.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -58.43 -45.93 87.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.646 ' O ' HG22 ' A' ' 57' ' ' THR . . . -68.33 -29.37 73.12 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.29 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.676 ' HG2' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -78.12 -32.46 50.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.935 0.398 . . . . 0.0 110.723 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.1 mm? -75.8 -34.93 60.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -73.26 -47.45 42.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.774 HG21 ' HE2' ' A' ' 28' ' ' LYS . 5.2 t -60.03 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.634 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.629 ' O ' HG22 ' A' ' 61' ' ' THR . 9.2 p -60.83 -39.84 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.642 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.067 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.51 -43.19 77.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.609 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 58' ' ' VAL . 5.3 t -71.17 -34.34 70.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 120' ' ' LEU . 2.9 mm? -63.16 -49.63 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.64 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -43.97 97.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.77 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.74 94.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.523 ' CE ' HG22 ' A' ' 117' ' ' VAL . 3.1 ttp -60.28 -44.55 95.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.669 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.0 mt -71.01 -29.89 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -56.24 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD11 ' HB1' ' A' ' 113' ' ' ALA . 12.1 mt -67.68 -48.89 65.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.39 166.45 23.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.44 172.42 4.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.556 2.17 . . . . 0.0 112.239 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 73' ' ' LYS . 5.0 t -58.19 -48.49 80.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' N ' HG23 ' A' ' 72' ' ' THR . 0.0 OUTLIER -168.58 123.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 67.87 -69.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.27 -176.66 5.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.157 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.5 -130.79 3.51 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -165.55 -63.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.99 79.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 p -94.97 109.82 21.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.71 -46.98 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.2 m -78.3 121.65 24.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -76.36 160.16 78.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.2 95.99 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.578 2.185 . . . . 0.0 112.186 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.35 168.66 16.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.04 118.64 14.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.68 157.05 25.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.549 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' HB3' ' HB3' ' A' ' 91' ' ' GLU . . . -69.43 -37.68 77.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.545 ' H ' ' HB3' ' A' ' 92' ' ' ALA . 6.4 mt-30 61.07 42.75 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 90' ' ' THR . 0.3 OUTLIER -165.71 77.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 2.2 m 80.57 -51.32 0.33 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 31.1 tt0 -61.64 -47.07 87.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.545 ' HB3' ' H ' ' A' ' 88' ' ' GLN . . . -105.75 -176.16 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.82 159.58 14.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.421 HG13 ' HD2' ' A' ' 95' ' ' PRO . 22.0 t 63.94 136.27 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.421 ' HD2' HG13 ' A' ' 94' ' ' VAL . 31.8 Cg_endo -63.89 -50.32 3.2 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.481 2.121 . . . . 0.0 112.333 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.3 -45.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 162.74 -71.78 0.2 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.481 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 p -154.51 107.65 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.61 -153.5 16.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.621 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -163.39 148.55 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.366 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -100.39 34.07 5.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.13 -41.81 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 4.5 p -98.86 127.89 33.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.774 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 103' ' ' SER . 38.4 Cg_exo -60.05 -28.11 86.33 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.423 2.082 . . . . 0.0 112.167 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.566 HD22 ' CB ' ' A' ' 109' ' ' ALA . 1.0 OUTLIER -147.77 157.93 43.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.853 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.433 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -57.07 150.57 39.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.661 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.32 82.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' THR . 0.9 OUTLIER -160.8 -44.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.566 ' CB ' HD22 ' A' ' 105' ' ' LEU . . . -73.04 -43.32 62.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -59.45 -48.99 79.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 111' ' ' ILE . 2.1 mp -63.23 -45.72 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 t -60.53 -45.18 94.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.873 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.47 -45.25 95.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.54 -24.74 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -70.66 -46.56 63.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.019 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.831 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -69.58 -37.25 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 113' ' ' ALA . 59.1 t -59.89 -53.32 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.539 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.13 99.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.002 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -36.82 83.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 0.0 110.507 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 62' ' ' LEU . 5.2 tt -66.01 -56.83 9.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -67.85 -42.22 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.453 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -66.07 -46.75 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.428 HG23 HD23 ' A' ' 120' ' ' LEU . 38.5 t -58.65 -41.08 81.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.61 -40.81 97.85 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.312 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.28 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 32' ' ' LEU . 5.8 tt -68.43 -47.11 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.01 -47.64 85.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -61.71 -35.16 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.668 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -44.34 92.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.604 HD11 HD13 ' A' ' 47' ' ' LEU . 4.7 tt -60.57 -45.37 94.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.04 77.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.06 -51.1 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.6 m -63.12 -37.6 87.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.723 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.97 -52.98 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -63.6 -33.58 75.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -82.46 -29.61 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -76.86 -33.23 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.82 -44.42 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -64.42 -31.48 72.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.72 -31.25 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.3 m -87.87 -45.64 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.09 139.8 29.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 23.0 tttt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.98 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -94.04 -61.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 68.94 -67.02 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -102.8 -51.88 3.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.07 98.49 2.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.435 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.64 -15.5 50.38 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.545 2.164 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -57.98 144.97 37.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.63 79.88 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -148.85 29.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.7 159.73 40.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.56 26.62 13.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -141.91 -44.23 0.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.943 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 14' ' ' VAL . 6.2 tp -60.65 -43.74 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.5 p -60.26 -33.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -81.3 -36.11 30.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.676 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.14 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.96 -49.35 78.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.746 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -30.52 47.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.86 30.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.35 -42.0 72.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.398 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -60.04 -51.33 70.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.11 -38.25 79.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -59.17 -40.64 86.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.609 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -40.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.748 HD12 HD11 ' A' ' 120' ' ' LEU . 39.8 mm -61.4 -36.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -52.5 10.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.51 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -56.93 -27.19 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.683 ' HE2' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -71.93 -50.9 25.09 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.022 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 25' ' ' ILE . 4.1 mm? -60.17 -36.45 77.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -50.24 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.785 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -68.02 -29.42 68.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.757 HD13 ' HG3' ' A' ' 54' ' ' GLU . 40.9 tp -73.82 -45.89 48.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.19 -44.49 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.1 -41.86 97.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -37.4 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 HD13 ' A' ' 47' ' ' LEU . 28.9 tp -67.15 -37.46 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -55.92 27.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.5 -47.73 84.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.43 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 111.068 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -80.47 -30.99 37.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -70.56 -72.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -117.84 -144.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.359 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -161.07 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.294 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.64 -29.71 63.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -50.59 73.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.306 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD13 HD11 ' A' ' 36' ' ' LEU . 2.1 pp -66.42 -33.31 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.82 -50.34 73.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.937 0.399 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -66.4 -48.94 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m -56.47 -40.61 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.784 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.981 HD11 HD21 ' A' ' 127' ' ' LEU . 1.8 mm? -62.7 -43.63 98.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.374 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -37.75 72.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.084 0.469 . . . . 0.0 109.966 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.73 -43.7 95.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.174 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.757 ' HG3' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -63.78 -29.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.328 . . . . 0.0 110.687 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.4 mm? -73.46 -37.64 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.8 -47.54 45.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.683 HG21 ' HE2' ' A' ' 28' ' ' LYS . 9.6 t -61.04 -46.9 88.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG22 HD23 ' A' ' 62' ' ' LEU . 9.9 p -63.72 -38.29 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.788 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -36.94 79.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 110.325 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.81 -43.34 75.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.83 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.676 HG21 HD11 ' A' ' 25' ' ' ILE . 2.4 t -69.94 -28.04 65.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.678 HD23 HG22 ' A' ' 58' ' ' VAL . 2.9 mm? -70.39 -43.31 70.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -70.97 -31.37 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -55.97 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptm -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.963 HD11 HG11 ' A' ' 117' ' ' VAL . 29.0 mm -65.35 -34.34 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.25 -43.63 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.756 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.6 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.795 HD11 ' HB1' ' A' ' 113' ' ' ALA . 4.0 mt -69.74 -59.86 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -77.57 140.65 64.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.12 161.9 2.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.5 t -88.16 -33.44 18.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.54 -51.49 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.11 167.4 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.19 -71.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.98 -47.34 0.89 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -143.72 106.51 4.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.38 31.33 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -129.38 126.75 39.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.29 -46.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.2 m -76.47 65.71 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.442 ' CD2' ' HD2' ' A' ' 83' ' ' PRO . 0.2 OUTLIER -141.48 128.92 11.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.442 ' HD2' ' CD2' ' A' ' 82' ' ' TYR . 51.7 Cg_exo -52.95 100.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.492 2.128 . . . . 0.0 112.296 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.51 -177.6 3.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.26 -75.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.25 -91.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.83 113.89 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.31 -52.69 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.59 83.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.27 -31.15 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.2 -36.13 76.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.05 165.07 12.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.58 93.07 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 94' ' ' VAL . 10.4 p -145.87 110.13 4.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.58 143.27 28.8 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.462 2.108 . . . . 0.0 112.418 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -90.27 -54.97 3.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.34 40.88 2.32 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.403 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.12 30.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.746 0.308 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.78 126.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -122.89 101.44 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.45 135.52 2.76 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.504 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 103' ' ' SER . 5.2 t -164.82 -47.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.405 ' N ' HG23 ' A' ' 102' ' ' THR . 12.2 t -58.39 109.64 1.99 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.3 -45.54 0.83 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.407 2.071 . . . . 0.0 112.311 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 109' ' ' ALA . 2.4 pp -169.15 -177.86 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 105' ' ' LEU . 2.0 t -64.04 141.98 98.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.956 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.28 88.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.512 2.142 . . . . 0.0 112.234 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.455 ' CA ' HG22 ' A' ' 111' ' ' ILE . 1.4 m -164.86 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.608 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -76.54 -42.58 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.481 ' HD2' HD23 ' A' ' 69' ' ' LEU . 26.3 mmt85 -79.22 -44.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.76 HD13 ' O ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER -61.96 -40.06 85.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.5 p -64.37 -44.08 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.896 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.3 -46.41 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 69' ' ' LEU . 3.7 mm? -68.29 -31.19 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -65.66 -46.6 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -67.56 -36.92 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.963 HG11 HD11 ' A' ' 66' ' ' ILE . 57.9 t -57.94 -53.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.52 99.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.873 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.25 -31.91 71.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.008 0.432 . . . . 0.0 110.391 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 25' ' ' ILE . 6.1 tt -67.89 -55.54 12.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.539 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -37.82 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.614 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -41.37 98.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.385 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -49.66 74.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.1 t -59.48 -38.93 77.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.45 96.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.103 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.02 83.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.736 0.303 . . . . 0.0 110.711 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.981 HD21 HD11 ' A' ' 51' ' ' LEU . 8.1 tt -63.44 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.6 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -63.77 -36.33 83.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.473 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.98 -45.29 95.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.502 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.49 HD12 ' HG ' ' A' ' 51' ' ' LEU . 2.5 tt -61.61 -44.91 96.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.02 92.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.78 98.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 78.1 m -67.95 -36.24 79.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.647 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -60.53 -48.66 80.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.644 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -67.11 -32.31 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -38.82 82.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.719 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.16 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.04 -31.55 72.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.76 -31.6 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.89 -30.81 45.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.8 p -74.36 -41.88 60.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.16 -76.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 36.8 mttt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.867 -179.911 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.6 93.24 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -60.37 -31.72 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -99.46 84.77 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.51 147.21 17.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.84 103.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.581 2.187 . . . . 0.0 112.317 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.97 94.19 9.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.86 -65.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -171.25 85.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.594 ' HB2' HG22 ' A' ' 13' ' ' ILE . 7.7 m-20 -92.69 -32.3 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m 61.86 30.29 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.07 -48.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.749 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.781 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -67.46 -27.94 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.006 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.76 -34.4 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.7 p -65.72 -32.52 74.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.812 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.52 72.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.16 -41.39 88.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -68.97 -30.36 46.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.58 22.86 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.01 -42.66 98.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HD13 ' A' ' 25' ' ' ILE . 71.0 mttt -63.69 -47.13 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.813 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.0 t -58.59 -32.64 69.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.01 -46.25 68.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -69.18 -38.41 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.479 HD11 HG21 ' A' ' 61' ' ' THR . 1.4 mp -60.74 -45.75 97.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -52.13 42.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.509 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 24' ' ' ALA . 24.5 m -56.53 -27.3 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.229 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.71 ' HE2' HG21 ' A' ' 57' ' ' THR . 16.1 tttp -69.73 -49.46 52.99 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.85 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.16 -39.09 85.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.789 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.1 -48.96 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.96 -32.78 73.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.685 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD12 HD21 ' A' ' 127' ' ' LEU . 2.9 tm? -63.26 -52.79 60.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.99 -42.46 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -39.86 95.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.785 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -75.82 -33.31 60.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 131' ' ' LEU . 1.5 tp -65.46 -37.61 87.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.71 -51.03 71.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.0 -44.13 69.15 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.409 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -59.65 -29.24 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.468 ' HE1' ' HB2' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -63.3 -52.41 62.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.43 -30.54 37.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 m -61.04 -76.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -137.07 -94.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.05 -34.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.698 0.285 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.78 61.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.99 70.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.276 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 2.1 pp -71.97 -33.41 68.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -44.71 96.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -47.17 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -59.96 -40.57 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.851 HD22 HD13 ' A' ' 131' ' ' LEU . 10.8 tp -64.77 -42.98 94.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -59.46 -51.2 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.807 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' THR . . . -63.52 -29.46 74.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.505 ' HG2' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.01 -37.65 78.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 110.928 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 51' ' ' LEU . 3.6 mm? -73.94 -34.9 64.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -74.15 -47.59 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.75 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.71 HG21 ' HE2' ' A' ' 28' ' ' LYS . 10.1 t -61.43 -46.74 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 61' ' ' THR . 9.9 p -64.34 -41.16 91.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.563 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 58' ' ' VAL . 28.2 mttm -57.95 -34.0 69.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.105 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.34 -47.21 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.878 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 58' ' ' VAL . 4.2 t -66.34 -37.52 85.53 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.922 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 120' ' ' LEU . 3.0 mm? -62.81 -45.97 90.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.663 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.63 98.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.26 97.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.195 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.65 ' CE ' HG22 ' A' ' 117' ' ' VAL . 9.1 ttp -60.7 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.9 mm -61.98 -29.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.91 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -66.69 -30.42 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.021 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.842 HD11 ' HB1' ' A' ' 113' ' ' ALA . 13.8 mt -72.2 -49.75 33.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.81 96.86 7.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.7 ' O ' HG23 ' A' ' 72' ' ' THR . 55.5 Cg_endo -69.86 128.28 15.72 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.466 2.111 . . . . 0.0 112.308 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -178.22 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.772 -179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -97.86 172.17 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -106.21 163.52 12.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.93 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.42 -117.8 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.435 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -166.7 -55.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.26 169.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.6 p -133.87 145.68 49.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . 67.29 -71.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.9 m -113.1 136.7 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' N ' ' CD ' ' A' ' 83' ' ' PRO . 12.5 m-85 -82.58 -45.06 0.94 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.366 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 82' ' ' TYR . 38.9 Cg_exo -60.38 137.41 74.23 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.27 1.98 . . . . 0.0 112.172 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 83' ' ' PRO . 17.4 p -159.07 131.76 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 63.38 141.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.46 72.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.58 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.13 147.13 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -112.19 44.0 1.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -106.9 -31.14 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 m -158.76 -43.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.74 -36.33 74.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.983 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.87 71.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.3 mt 61.15 50.93 4.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.4 m -146.45 135.84 11.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.87 -178.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.452 2.101 . . . . 0.0 112.257 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -109.39 157.48 18.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.806 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.43 144.25 10.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -110.95 174.75 5.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.81 -166.8 53.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.515 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -127.42 162.01 27.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -81.49 -116.73 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 82.8 p -141.33 95.61 2.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.891 0.377 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.61 153.68 0.11 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.563 ' HB2' HD23 ' A' ' 105' ' ' LEU . 33.3 Cg_endo -64.99 -51.79 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.563 2.176 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 109' ' ' ALA . 0.6 OUTLIER -164.4 -179.23 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 107' ' ' PRO . 44.3 p -63.13 154.49 77.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 106' ' ' THR . 58.8 Cg_endo -71.79 92.49 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.625 2.217 . . . . 0.0 112.383 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.08 -42.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.759 ' HB3' HD11 ' A' ' 105' ' ' LEU . . . -77.9 -27.78 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.276 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -71.9 -49.17 40.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -39.7 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.239 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.0 m -64.06 -36.56 84.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.9 -51.59 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.321 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.16 -37.92 81.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.78 -46.51 75.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.238 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.789 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -63.9 -37.71 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.065 -179.773 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 113' ' ' ALA . 88.4 t -60.57 -56.96 14.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.816 0.341 . . . . 0.0 110.63 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.9 92.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.108 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.98 -33.31 71.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.613 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 62' ' ' LEU . 5.6 tt -70.94 -57.05 4.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.73 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -35.29 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -68.31 -41.14 81.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -53.31 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.46 -32.34 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.64 -47.32 78.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.222 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.71 71.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.349 . . . . 0.0 110.829 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 127' ' ' LEU . 2.7 tm? -63.92 -49.68 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.813 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.79 -41.81 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.2 p -61.51 -38.65 88.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.526 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -63.72 -42.55 97.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.851 HD13 HD22 ' A' ' 51' ' ' LEU . 7.9 tt -60.69 -41.44 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.43 81.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.54 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.15 -49.78 53.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -36.62 77.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -67.23 -51.52 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -61.24 -43.47 98.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.699 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.468 ' HB2' ' HE1' ' A' ' 40' ' ' MET . . . -62.1 -40.89 97.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.98 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -61.95 -38.78 89.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.94 15.34 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.245 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -120.78 -39.24 2.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.76 69.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -33.92 37.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -85.38 -52.1 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.963 -179.989 . . . . . . . . 0 0 . 1 stop_ save_