data_2kdm_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 2kdm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.762 0.315 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 p -114.29 142.41 46.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.2 m-85 -122.23 149.9 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' CG ' ' CG2' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -125.83 151.3 47.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.061 0.458 . . . . 0.0 110.985 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.552 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 6.5 tp -133.31 129.7 37.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.149 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.522 ' HB ' HG21 ' A' ' 53' ' ' THR . 39.6 mm -103.39 107.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.926 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.7 mt -95.19 123.51 38.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.202 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 101.28 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' CD1' ' HB1' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -105.36 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -40.84 -53.88 2.79 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.053 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -143.54 73.71 1.4 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.392 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 9' ' ' LEU . . . 169.02 146.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.047 0.451 . . . . 0.0 111.147 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -136.76 107.27 6.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -118.09 150.59 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.18 128.62 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -109.46 138.76 45.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.196 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CG2' ' CG ' ' A' ' 4' ' ' LYS . 4.8 pt -145.98 162.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.997 0.427 . . . . 0.0 111.783 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HD2' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -168.83 140.64 2.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.642 -179.358 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.13 116.1 31.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.88 171.21 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -92.34 20.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.691 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.4 t0 -174.17 -166.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 110.666 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.58 -37.98 7.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.244 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.47 -32.96 10.92 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.566 -0.825 . . . . 0.0 112.227 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -80.79 -27.83 36.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.582 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.48 -41.32 27.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.597 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.06 -58.77 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -55.02 -39.23 68.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.417 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 32.6 t80 -71.78 -43.28 65.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.14 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-30 -63.28 -43.55 97.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.135 0.493 . . . . 0.0 109.745 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -34.5 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.082 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.66 -38.64 77.17 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.197 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.436 HG23 ' HA ' ' A' ' 30' ' ' PHE . 1.1 tp -81.43 -36.47 14.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.823 0.344 . . . . 0.0 110.983 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -62.22 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.83 -23.85 64.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.551 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -99.83 -31.95 11.25 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 -177.37 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.954 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -153.56 37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -174.78 135.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.33 172.83 30.27 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.595 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 5.3 t -101.81 107.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.152 0.501 . . . . 0.0 110.054 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.41 ' CD1' HG21 ' A' ' 54' ' ' VAL . 10.7 m95 -69.36 118.94 12.88 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.5 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.64 165.7 26.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.164 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.31 131.63 22.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.123 0.487 . . . . 0.0 111.349 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -92.92 128.9 38.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.42 113.48 24.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 165.88 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.402 ' CD1' ' CG2' ' A' ' 51' ' ' THR . 1.4 pt -117.68 17.3 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.605 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 61.0 90.55 0.06 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.997 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.402 ' CG2' ' CD1' ' A' ' 49' ' ' ILE . 80.4 p -149.23 146.16 27.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 0.0 112.017 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 2.4 m-85 -120.61 160.93 22.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.082 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.522 HG21 ' HB ' ' A' ' 6' ' ' ILE . 55.4 m -146.68 152.41 38.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 111.576 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.585 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.66 100.64 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.082 179.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -101.02 124.67 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.584 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.714 179.716 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -94.15 136.13 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 59.4 m-85 -126.58 148.74 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -133.01 149.69 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 3.0 tp -132.28 128.02 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.372 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.499 ' HB ' HG22 ' A' ' 53' ' ' THR . 36.0 mm -102.01 107.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -98.34 119.52 37.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.232 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -124.01 100.64 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 179.34 3.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -82.71 50.37 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.31 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.434 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.16 168.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -117.74 140.57 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.13 143.89 50.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -118.09 137.74 52.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.82 138.04 51.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.394 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 pt -152.09 153.08 10.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 111.602 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.89 142.51 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.641 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.77 110.73 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.01 177.21 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.38 20.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.695 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.06 -165.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.695 0.283 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.58 -35.46 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.17 -31.25 11.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.088 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -80.26 -28.01 38.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.477 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.56 -39.08 53.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.674 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.16 -61.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -55.12 -34.54 63.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.45 -43.47 39.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.775 0.321 . . . . 0.0 110.184 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 6.2 m-30 -63.86 -42.09 97.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -37.43 80.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.03 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.29 -37.86 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.249 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.408 HG22 ' HA ' ' A' ' 30' ' ' PHE . 7.3 tp -79.81 -31.61 13.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.36 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.746 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -35.72 67.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.7 62.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.13 -33.54 22.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.21 -176.59 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.18 55.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -165.82 117.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.784 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.64 172.15 33.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.62 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 30.4 m -102.81 110.95 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.214 0.53 . . . . 0.0 110.347 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.456 ' CD1' HG22 ' A' ' 54' ' ' VAL . 7.5 m95 -71.81 105.97 3.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.486 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 17.0 p -123.0 155.51 36.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.011 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.445 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.31 143.51 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.638 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -114.93 144.71 43.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.264 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -95.59 -9.1 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.75 -33.83 68.89 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.339 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -158.32 32.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 4.8 mmtt 48.87 88.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.22 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.2 m -153.57 133.27 13.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -110.21 161.42 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.555 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.499 HG22 ' HB ' ' A' ' 6' ' ' ILE . 64.0 m -146.71 152.29 38.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.418 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.584 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.9 101.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.071 179.229 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -106.16 127.44 53.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.517 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.942 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 119.82 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.442 ' CE2' ' HD3' ' A' ' 50' ' ' LYS . 41.2 m-85 -115.95 149.42 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.73 149.29 51.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 111.161 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.3 tp -124.95 121.92 35.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.154 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 2.7 mp -100.65 115.69 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.14 125.7 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -126.08 101.3 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.18 179.0 4.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -55.77 -46.31 77.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.261 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.15 58.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.983 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -177.23 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -97.8 120.16 37.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.722 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.52 142.19 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -103.37 130.84 50.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.58 140.79 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.485 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 pt -151.94 147.94 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 0.0 111.589 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.85 140.4 2.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.543 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.47 120.11 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.5 171.57 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 14.9 p -93.33 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.6 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -169.22 -166.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.658 0.266 . . . . 0.0 110.817 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.42 -38.73 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.25 -28.52 8.85 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.131 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -80.76 -29.29 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.486 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.06 -39.77 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.24 -60.28 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.437 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -54.96 -36.69 65.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -73.04 -48.39 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.534 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.409 ' HA ' HG22 ' A' ' 33' ' ' ILE . 7.0 m-30 -61.6 -42.64 99.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.877 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -34.27 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.42 -37.86 80.68 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.285 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 34' ' ' ALA . 6.8 tp -80.16 -36.7 16.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' N ' HG21 ' A' ' 33' ' ' ILE . . . -58.95 -69.06 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -33.44 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.97 -24.64 64.58 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -153.01 43.76 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -165.33 117.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.39 27.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.325 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 179.35 119.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.75 165.34 34.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.645 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -108.28 105.88 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.243 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.452 ' CD1' HG22 ' A' ' 54' ' ' VAL . 9.0 m95 -64.91 127.3 30.99 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.524 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 t -151.45 167.5 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.392 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.29 139.3 30.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.046 0.45 . . . . 0.0 111.265 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.55 135.16 44.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.14 118.11 28.61 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.37 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.169 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.94 24.65 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HD3' ' CE2' ' A' ' 3' ' ' TYR . 1.5 mmpt? 58.57 88.9 0.06 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.621 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 17.5 p -141.2 147.02 37.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.195 0.522 . . . . 0.0 112.212 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 5.7 m-85 -123.23 156.9 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.929 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 54' ' ' VAL . 86.8 m -146.37 153.23 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.419 . . . . 0.0 111.603 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.542 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.25 106.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.196 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.6 m -109.99 127.79 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.439 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.786 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.751 0.31 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 p -102.22 115.07 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -103.64 141.87 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -123.2 151.34 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.137 0.494 . . . . 0.0 111.104 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.524 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 5.4 tp -130.16 124.24 32.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.072 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.474 ' HB ' HG22 ' A' ' 53' ' ' THR . 43.4 mm -103.27 109.23 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.988 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mt -100.54 125.97 46.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.197 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.25 101.39 6.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.48 178.9 4.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.031 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 66.81 4.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.71 -46.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.68 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -91.95 124.72 36.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 110.697 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.97 136.53 53.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -111.11 123.42 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.422 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.47 135.9 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.318 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 pt -146.06 155.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.057 0.456 . . . . 0.0 111.543 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -168.75 134.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.584 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.13 114.32 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.9 168.44 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.46 20.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -159.39 -165.43 1.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.761 0.315 . . . . 0.0 110.772 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.13 -41.18 2.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.09 -31.08 10.77 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.904 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -29.27 39.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.365 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.386 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.07 -61.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.521 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.23 -36.3 63.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -71.62 -51.8 21.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.42 ' HA ' HG23 ' A' ' 33' ' ' ILE . 2.2 m-85 -60.27 -42.85 96.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.993 0.425 . . . . 0.0 109.921 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -57.58 -32.34 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.006 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.43 -38.62 71.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.42 HG23 ' HA ' ' A' ' 30' ' ' PHE . 1.9 tp -81.75 -35.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 110.757 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -63.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -37.28 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.32 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.1 61.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.697 0.284 . . . . 0.0 111.632 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -100.26 -28.79 12.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 179.15 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 t -149.09 37.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -176.42 134.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.58 169.52 27.18 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.579 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 27.9 m -103.23 108.87 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.229 0.537 . . . . 0.0 110.367 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.475 ' CD1' HG23 ' A' ' 54' ' ' VAL . 9.1 m95 -70.81 126.86 30.75 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.465 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 22.6 p -147.57 147.21 29.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.207 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.438 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 17.8 t80 -143.07 138.62 30.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.114 0.483 . . . . 0.0 111.565 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CD ' ' HB3' ' A' ' 48' ' ' GLU . 4.0 ttmt -120.72 124.96 46.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.169 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -25.06 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' HB3' ' CD ' ' A' ' 46' ' ' LYS . 18.4 tp10 -52.93 -34.56 55.92 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.084 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.6 mt -128.78 0.86 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.54 69.18 0.75 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.015 0.436 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 p -152.61 142.47 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 111.461 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -106.03 162.96 13.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.596 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 6' ' ' ILE . 86.9 m -146.62 148.13 31.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.799 0.333 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.575 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.58 102.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.252 0.548 . . . . 0.0 110.428 179.352 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.72 125.32 50.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.526 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.698 179.802 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.796 0.331 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m -140.07 113.93 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.1 m-85 -104.78 148.75 26.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.88 149.03 51.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.5 tp -132.89 129.54 38.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.054 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HB ' HG23 ' A' ' 53' ' ' THR . 2.8 mp -104.6 111.72 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.737 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.85 127.42 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -126.9 101.16 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.786 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.74 179.27 4.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -82.15 54.06 2.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.663 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 171.85 86.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.231 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.78 171.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -117.51 136.36 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.42 136.8 54.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.734 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -111.9 127.37 55.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.237 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.58 132.25 54.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 ' CD1' ' N ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.12 152.21 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.41 . . . . 0.0 111.517 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 8.0 tttp -168.94 144.3 3.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.698 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -96.79 121.98 39.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.9 142.95 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.3 m -59.77 -46.55 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 54.8 p-10 -112.68 -167.35 1.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.764 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.84 -34.53 9.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.738 0.304 . . . . 0.0 111.243 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -33.36 10.84 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.174 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -80.92 -28.63 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.86 -41.57 43.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.45 -59.64 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -55.38 -37.14 67.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 14.6 t80 -72.89 -49.37 30.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' HA ' HG21 ' A' ' 33' ' ' ILE . 1.5 m-85 -61.11 -43.85 98.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -57.92 -35.21 70.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -66.55 -39.89 88.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.164 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 34' ' ' ALA . 6.8 tp -78.42 -37.39 21.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.839 0.352 . . . . 0.0 110.804 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -64.96 -63.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -55.08 -28.38 51.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 -0.14 57.44 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -37.59 7.22 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.666 0.246 . . . . 0.0 111.666 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.6 p -140.15 -42.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.608 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 t 78.7 31.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.872 0.367 . . . . 0.0 111.0 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.66 146.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.829 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.07 178.07 30.79 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.73 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 6.5 t -107.51 106.45 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.022 0.439 . . . . 0.0 110.208 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -65.07 129.15 38.66 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.501 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.37 154.24 36.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.263 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.25 146.85 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.07 0.462 . . . . 0.0 111.17 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -119.71 136.89 54.24 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.741 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 3.3 t0 -87.79 123.48 32.63 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER 164.12 -61.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.674 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.418 ' N ' ' HG2' ' A' ' 48' ' ' GLU . 3.4 mt -128.49 22.3 2.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.052 0.454 . . . . 0.0 110.077 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.3 84.39 0.11 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 t -134.35 143.88 47.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.104 0.478 . . . . 0.0 111.941 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -129.57 158.49 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.264 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.443 HG23 ' HB ' ' A' ' 6' ' ' ILE . 94.2 m -146.54 149.54 33.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.561 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.64 104.26 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.087 179.187 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.5 m -102.02 125.86 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.583 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.745 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.834 0.35 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.4 p -97.45 88.39 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 61.4 m-85 -74.18 147.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -126.31 149.68 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.552 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.8 tp -133.13 120.45 21.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.439 ' HB ' HG22 ' A' ' 53' ' ' THR . 2.8 mp -96.92 107.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -101.46 131.01 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.072 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.12 100.99 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.491 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.92 167.58 10.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.13 -25.01 29.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.428 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.37 90.92 3.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.791 0.329 . . . . 0.0 111.074 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 54.57 173.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.267 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -111.27 134.11 53.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.675 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.52 144.71 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -117.8 132.23 56.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.67 139.82 44.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.404 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.1 pt -152.1 150.12 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.578 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -168.89 141.48 2.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.673 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -102.76 117.7 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.74 177.11 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -92.3 20.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.649 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -178.04 -165.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.285 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.47 -37.82 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.37 -29.65 10.92 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.142 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -28.44 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.341 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.65 49.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.588 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.77 -58.9 4.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -56.24 -38.16 70.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.826 0.346 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 3.9 m-30 -61.33 -43.26 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -36.34 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.061 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.99 -41.31 95.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.688 0.28 . . . . 0.0 111.258 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 tp -74.45 -29.99 25.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.813 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -68.39 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.736 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -20.36 37.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.456 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.54 -23.96 29.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.56 0.219 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.61 -31.93 10.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 120.746 0.308 . . . . 0.0 111.333 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -165.94 -177.3 4.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.809 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.52 63.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.252 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.71 123.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.74 172.5 32.28 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.682 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 7.7 t -104.51 107.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 110.415 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.485 ' CD1' HG22 ' A' ' 54' ' ' VAL . 8.2 m95 -69.88 128.02 34.92 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.482 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 7.2 t -151.51 159.58 44.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.1 t80 -143.26 143.0 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.11 0.481 . . . . 0.0 111.459 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -120.64 133.46 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.45 -4.54 51.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.685 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -51.27 -35.32 36.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.096 0.474 . . . . 0.0 111.356 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -162.85 28.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.16 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 56.54 85.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.039 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -157.22 138.94 14.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 111.417 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.74 164.83 11.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.305 179.621 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.439 HG22 ' HB ' ' A' ' 6' ' ' ILE . 67.7 m -146.56 150.7 36.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.568 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.51 103.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.294 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 m -103.13 125.45 49.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.38 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.585 179.751 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.93 0.395 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -95.53 131.19 41.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 28.5 m-85 -116.3 149.17 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -130.27 149.95 51.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.782 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 5.9 tp -132.98 134.05 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.416 ' HB ' HG23 ' A' ' 53' ' ' THR . 3.3 mp -110.13 108.52 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.661 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 mt -103.18 131.08 50.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 105.42 8.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.16 178.93 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -78.63 63.5 3.44 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -178.26 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.47 -169.55 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 124.75 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 127.37 55.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.7 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -100.18 126.52 46.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 111.035 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.48 131.08 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.614 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.84 150.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.385 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -168.82 144.28 3.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.763 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.07 125.94 40.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.52 161.64 37.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 m -59.82 -46.39 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.31 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -131.52 -165.02 1.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.75 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.63 -34.51 18.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.238 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.19 10.81 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.186 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -79.68 -29.34 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.48 -42.97 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.51 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.82 -54.42 39.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.97 75.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.303 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.53 -45.29 46.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.861 0.363 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.467 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 4.2 m-30 -61.47 -43.12 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -58.85 -37.43 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.913 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -62.97 -41.13 99.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.115 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -76.15 -28.37 18.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.9 0.381 . . . . 0.0 111.005 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.54 -71.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.72 -20.67 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.761 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.73 -67.68 0.74 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.871 0.367 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -25.53 64.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.184 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -134.76 172.12 13.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -148.79 31.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.302 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.7 142.42 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.37 171.74 28.92 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.698 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 11.5 t -105.37 107.64 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.093 0.473 . . . . 0.0 110.329 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.424 ' CD1' HG21 ' A' ' 54' ' ' VAL . 8.8 m95 -66.13 129.2 39.0 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.531 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.1 p -151.22 157.69 42.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.195 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.43 148.63 36.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 111.24 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -117.9 132.13 56.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.581 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 8.7 t70 -88.6 123.15 32.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.0 mm-40 154.77 -51.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.1 pp -128.66 15.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.843 0.354 . . . . 0.0 110.504 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 8.2 mmtt 57.86 82.7 0.12 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -138.41 138.54 38.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 111.71 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -119.51 161.45 20.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.343 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.416 HG23 ' HB ' ' A' ' 6' ' ' ILE . 91.4 m -146.55 149.77 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 111.487 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.569 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -135.72 103.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.118 179.017 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.85 125.81 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.495 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.692 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.6 105.58 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 57.4 m-85 -102.6 148.93 24.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.5 150.15 48.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 0.0 111.053 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.6 tp -126.5 127.93 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.002 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.458 ' HB ' HG23 ' A' ' 53' ' ' THR . 44.5 mm -104.17 112.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.48 130.96 45.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.016 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.21 101.53 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -113.62 157.98 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -39.33 70.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -61.59 2.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.78 -175.46 5.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -113.91 139.28 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.7 144.28 51.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -109.83 123.52 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.98 0.419 . . . . 0.0 111.368 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.56 133.25 53.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.423 HG23 HD13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.6 157.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.024 0.44 . . . . 0.0 111.528 -179.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.81 144.11 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.6 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -110.54 114.89 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 161.37 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.28 20.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.682 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -162.6 -165.83 1.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.729 0.3 . . . . 0.0 110.684 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.25 -38.3 3.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.05 -30.81 10.19 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.099 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -81.37 -27.95 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.6 49.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.995 0.426 . . . . 0.0 110.639 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.05 -59.95 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.457 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -54.95 -37.25 66.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -71.95 -52.33 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.94 -42.24 93.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.884 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -40.28 79.2 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.27 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 34' ' ' ALA . 1.2 tp -75.9 -37.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.869 0.366 . . . . 0.0 110.532 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' THR . . . -56.83 -73.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.476 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.63 7.28 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 15.93 1.12 Allowed 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER 176.61 -76.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 111.588 179.227 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 t 79.86 33.7 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -164.43 128.24 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.05 -179.7 31.76 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 10.5 t -104.51 107.65 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.276 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.431 ' CD1' HG21 ' A' ' 54' ' ' VAL . 7.3 m95 -68.52 129.66 40.56 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.597 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.28 147.86 27.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.103 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.435 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 4.0 t80 -143.12 139.97 30.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 111.47 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -120.44 118.66 30.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.377 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -17.8 62.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.423 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.92 -29.79 57.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.707 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.4 pt -145.9 18.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 47.04 78.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.901 0.382 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.8 m -155.26 136.15 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.596 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -108.93 159.66 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.364 179.481 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.458 HG23 ' HB ' ' A' ' 6' ' ' ILE . 98.2 m -146.53 150.11 34.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.247 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.573 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.46 103.78 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.213 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.1 p -100.71 123.92 45.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.806 179.725 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -126.83 133.26 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 27.9 m-85 -127.16 145.53 50.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -130.51 150.46 51.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.5 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 3.4 tp -132.06 129.09 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.152 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HB ' HG21 ' A' ' 53' ' ' THR . 35.8 mm -102.45 107.52 22.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.02 116.82 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.076 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -113.28 101.25 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mp -101.08 168.59 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.974 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -21.15 19.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.632 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.67 115.17 8.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 72.28 154.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.357 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -126.54 137.55 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.3 162.68 24.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -129.8 135.12 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.77 132.11 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.64 157.07 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.028 0.442 . . . . 0.0 111.724 -179.428 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.82 144.43 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.625 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.52 117.54 32.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.79 147.94 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -59.78 -35.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.533 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 2.8 p30 -121.43 -167.63 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.693 0.282 . . . . 0.0 110.742 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.24 -30.97 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.98 -39.72 19.07 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.156 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -27.17 55.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.86 -36.89 49.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.56 -60.25 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.541 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -56.79 -42.34 79.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.27 -42.44 93.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.428 ' HA ' HG23 ' A' ' 33' ' ' ILE . 3.3 m-30 -65.43 -42.18 92.74 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.69 81.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.23 -38.95 92.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.356 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.428 HG23 ' HA ' ' A' ' 30' ' ' PHE . 6.9 tp -80.07 -33.48 14.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.03 -62.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.643 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -35.11 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -23.88 62.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.467 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.26 -1.73 15.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.582 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -163.77 168.56 19.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 t -148.64 37.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.13 129.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 169.54 169.08 32.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.45 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 42' ' ' VAL . 10.9 m -104.39 109.97 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.162 0.506 . . . . 0.0 110.246 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -69.33 127.64 33.76 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.384 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 70.4 p -151.35 158.69 44.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.38 146.47 33.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.022 0.439 . . . . 0.0 111.174 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.02 132.23 55.47 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.8 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -89.52 115.61 27.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 163.84 -62.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.004 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.5 mt -118.28 16.74 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.55 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.98 88.21 0.07 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 27.1 m -143.1 144.34 32.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.186 0.517 . . . . 0.0 112.184 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -127.83 156.93 41.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.846 179.296 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.527 HG21 ' HB ' ' A' ' 6' ' ' ILE . 57.8 m -146.46 150.97 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.187 0.518 . . . . 0.0 111.725 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.563 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.75 103.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.012 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 42' ' ' VAL . 38.9 m -106.21 129.25 54.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.833 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 29.3 tt0 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.699 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -119.6 125.91 49.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.3 m-85 -128.48 141.89 51.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 150.34 52.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.9 tp -129.78 131.5 46.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.428 ' HB ' HG21 ' A' ' 53' ' ' THR . 2.8 mp -110.14 107.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.796 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.67 128.09 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.2 101.4 6.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.96 179.19 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -81.81 61.02 4.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.976 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.84 -48.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.83 -167.62 2.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 146.34 40.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.31 134.07 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.742 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -104.49 124.35 49.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.349 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.56 132.27 54.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.303 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.72 151.18 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.539 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -168.84 148.21 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.635 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.05 118.51 36.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.73 160.57 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.16 20.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.719 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.41 -166.77 1.59 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.68 0.276 . . . . 0.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.99 -39.73 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 -31.65 9.82 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.037 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -82.44 -28.26 31.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.427 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.06 28.26 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.49 -58.49 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -40.47 69.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.51 -50.04 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.167 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' HA ' HG23 ' A' ' 33' ' ' ILE . 2.0 m-85 -61.21 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.936 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -57.89 -32.81 68.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.143 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.19 -38.66 75.39 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.146 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 30' ' ' PHE . 8.1 tp -81.03 -32.61 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -61.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.669 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -34.78 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.65 -22.31 56.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 -33.23 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 0.0 111.23 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.02 173.85 12.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.0 33.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.44 132.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.78 174.3 38.59 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 2.7 t -103.13 105.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 0.0 110.306 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.447 ' CD1' HG23 ' A' ' 54' ' ' VAL . 10.0 m95 -70.33 97.94 1.32 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.491 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -116.65 158.64 23.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.358 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.33 146.37 33.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 0.1 OUTLIER -116.99 137.25 52.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.819 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.32 121.48 31.64 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.968 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 164.34 -62.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.249 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.8 mt -126.31 19.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.414 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.94 89.9 0.08 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 14.5 t -141.62 143.56 33.72 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.354 -0.538 . . . . 0.0 112.167 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -128.11 157.34 41.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.229 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.428 HG21 ' HB ' ' A' ' 6' ' ' ILE . 98.9 m -146.41 150.63 36.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.57 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -130.53 102.91 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.375 0.607 . . . . 0.0 110.259 179.229 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 m -100.18 124.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.358 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.665 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.841 0.353 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.32 112.46 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.404 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 62.9 m-85 -100.81 148.63 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -137.33 150.48 47.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.965 0.412 . . . . 0.0 111.221 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.0 tp -129.61 118.1 21.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.947 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.532 ' HB ' HG22 ' A' ' 53' ' ' THR . 35.1 mm -92.86 107.48 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.3 mt -91.98 125.93 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.403 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.21 100.89 6.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.47 179.48 3.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.974 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.48 17.74 2.54 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.494 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -149.48 80.36 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 68.31 146.95 0.05 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.64 150.62 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.9 140.23 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -113.48 125.84 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.59 132.06 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.443 HG22 HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.49 153.3 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 111.503 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HE2' ' CD2' ' A' ' 29' ' ' TYR . 2.2 ttpp -168.89 144.16 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.629 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -96.52 122.59 39.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.85 147.71 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.2 m -59.87 -47.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.345 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 13.8 p-10 -114.49 -167.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.82 -31.31 11.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.07 -30.92 10.42 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -29.24 44.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.557 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.16 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -64.52 -59.62 4.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.455 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.88 -40.65 73.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.425 ' CD2' ' HE2' ' A' ' 18' ' ' LYS . 31.6 t80 -70.94 -46.07 63.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.351 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 109.844 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -60.51 -30.7 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.397 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.27 -38.09 63.52 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -74.76 -40.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 110.979 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' HG21 ' A' ' 33' ' ' ILE . . . -61.16 -57.13 13.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.683 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -34.5 62.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 5.77 49.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.706 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -40.71 5.64 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.465 0.174 . . . . 0.0 111.373 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -168.53 -50.11 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.259 0.552 . . . . 0.0 111.602 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 t 77.9 63.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.057 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.06 121.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.43 -178.71 33.65 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.726 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 11.5 t -104.59 108.83 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.394 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CD1' HG23 ' A' ' 54' ' ' VAL . 5.5 m95 -69.11 108.75 3.71 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.431 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 81.8 p -126.88 154.49 44.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.462 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.14 144.05 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.321 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 140.19 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.524 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.46 -3.78 58.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.494 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.49 -35.14 52.27 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.605 0.241 . . . . 0.0 111.121 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -166.99 32.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.246 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 56.41 83.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.389 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.6 m -147.59 134.05 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.345 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -111.26 159.64 17.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.514 179.791 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.532 HG22 ' HB ' ' A' ' 6' ' ' ILE . 92.5 m -146.54 154.24 41.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.993 0.425 . . . . 0.0 110.987 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.586 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.72 101.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 0.0 110.167 179.172 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.2 m -100.51 124.37 45.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.475 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.808 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.36 101.32 12.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 57.1 m-85 -80.58 149.03 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.42 151.24 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 111.156 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 6.6 tp -138.16 117.65 12.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.001 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.451 ' HB ' HG22 ' A' ' 53' ' ' THR . 36.9 mm -98.91 114.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mt -105.32 125.64 51.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -118.45 116.49 26.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.19 178.98 4.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -93.97 47.1 1.2 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.66 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 -169.92 3.12 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.57 127.4 29.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.26 136.7 49.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.763 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -109.24 119.82 40.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.49 132.06 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.307 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.442 HG23 HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -143.31 161.09 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.655 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' CD ' ' CG ' ' A' ' 29' ' ' TYR . 2.7 tttp -168.79 148.73 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -111.35 111.92 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.07 149.75 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -59.9 -46.57 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -106.54 -167.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.782 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.66 -33.38 9.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.83 -31.09 9.71 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.229 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -80.2 -29.46 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.541 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -76.77 -42.17 41.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -58.44 6.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.398 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -40.91 72.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.452 ' CG ' ' CD ' ' A' ' 18' ' ' LYS . 21.6 t80 -69.98 -45.2 67.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.307 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 3.0 m-30 -62.37 -43.76 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.012 0.434 . . . . 0.0 109.958 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -30.93 66.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.37 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.6 -38.37 62.61 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.657 0.265 . . . . 0.0 111.481 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.419 HG22 ' HA ' ' A' ' 30' ' ' PHE . 8.6 tp -79.21 -39.24 20.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.883 0.373 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.71 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.652 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -37.62 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.83 59.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.672 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 10.06 13.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.542 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.88 173.32 10.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.041 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -154.4 25.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.64 133.64 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.64 172.01 35.81 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 13.4 p -108.81 109.44 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 0.0 110.331 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.447 ' CD1' HG22 ' A' ' 54' ' ' VAL . 9.4 m95 -67.19 127.1 31.35 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.487 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -146.3 159.84 42.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.959 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.0 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.44 . . . . 0.0 111.236 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -120.67 137.85 54.24 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.688 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.16 125.19 33.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.321 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 163.17 -61.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.381 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.24 23.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.258 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.78 84.53 0.13 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.674 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 t -133.38 140.64 47.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.97 0.414 . . . . 0.0 111.707 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -123.85 162.12 23.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.499 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.451 HG22 ' HB ' ' A' ' 6' ' ' ILE . 65.3 m -146.59 151.34 37.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 111.347 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.56 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.55 105.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.297 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 m -109.47 129.27 55.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.591 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.718 179.645 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 p -131.19 106.41 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 20.1 m-85 -102.04 149.1 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -129.19 151.34 49.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.188 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.9 tp -130.98 118.63 20.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.871 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 2.7 mp -100.28 121.35 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.6 mt -112.14 130.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -121.53 101.0 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.32 179.23 4.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.94 51.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.839 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.91 73.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.926 0.393 . . . . 0.0 110.464 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.3 144.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 144.93 24.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.76 132.21 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -102.44 127.93 49.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.304 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.46 135.17 50.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.133 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.95 157.93 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -168.76 146.26 3.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.554 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.98 109.78 19.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.0 168.31 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 14.8 p -93.32 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.683 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.1 t70 -171.55 -167.72 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.766 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.66 -36.41 7.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.66 -30.34 8.61 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.247 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -28.02 32.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.652 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.23 46.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -68.39 -59.91 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.501 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -54.61 -36.13 64.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -72.63 -49.35 32.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 110.634 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.44 -42.33 98.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.94 0.4 . . . . 0.0 109.979 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.85 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.042 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.14 -39.15 79.02 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.661 -179.65 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 34' ' ' ALA . 7.8 tp -76.17 -36.8 31.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -60.41 -72.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.597 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -51.36 -27.84 10.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.923 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.31 -20.29 63.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.384 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -169.98 57.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 111.299 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.1 m -164.69 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p 42.86 42.91 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.769 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.82 111.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.84 173.13 27.94 Favored Glycine 0 C--N 1.329 0.169 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.656 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.4 t -103.96 107.06 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.267 0.556 . . . . 0.0 110.13 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CD1' HG22 ' A' ' 54' ' ' VAL . 6.6 m95 -65.34 119.07 10.28 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.648 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -140.06 164.65 29.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.31 143.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -109.64 132.31 54.26 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.533 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.01 118.24 26.26 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.235 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 164.21 -62.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.274 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.9 mt -124.81 22.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.448 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 7.9 mmtt 57.93 83.85 0.11 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.1 p -134.91 140.73 45.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.064 0.459 . . . . 0.0 111.659 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 8.3 m-85 -118.36 159.73 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 54' ' ' VAL . 98.8 m -146.59 152.85 39.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.424 . . . . 0.0 111.39 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.555 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -135.55 102.71 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.184 179.056 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.39 119.89 33.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.366 -178.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.465 179.745 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.04 101.3 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.2 m-85 -85.12 148.36 26.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -129.0 148.99 51.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 5.1 tp -130.14 117.64 20.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.869 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' HB ' HG22 ' A' ' 53' ' ' THR . 42.1 mm -97.39 110.08 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -102.4 128.77 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -127.07 103.22 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.65 176.25 5.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.29 0.567 . . . . 0.0 111.085 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -22.44 22.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.57 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.43 110.14 8.09 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.471 . . . . 0.0 111.623 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.19 178.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.246 0.546 . . . . 0.0 111.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -139.25 147.33 41.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.82 139.66 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.58 120.06 40.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.278 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.55 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.33 160.81 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.423 . . . . 0.0 111.475 -179.633 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -168.8 150.58 4.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.614 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -102.84 116.01 31.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 141.38 36.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.195 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -112.56 -167.1 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.21 -35.32 9.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.78 -32.71 11.55 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.136 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -79.74 -28.05 40.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.458 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.86 -41.0 38.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -55.63 -39.38 70.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.95 -44.47 63.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.36 . . . . 0.0 110.244 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 3.1 m-30 -62.72 -43.83 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.082 0.468 . . . . 0.0 109.808 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -34.36 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.008 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -38.59 79.67 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.109 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.423 HG22 ' HA ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -81.76 -35.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 179.755 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -34.8 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.335 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.99 -58.19 5.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.705 0.288 . . . . 0.0 111.475 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.54 18.71 9.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.663 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.42 146.07 10.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.786 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 t -139.91 29.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.319 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -179.2 126.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 171.26 170.11 34.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 11.8 m -106.54 110.98 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.331 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.447 ' CD1' HG21 ' A' ' 54' ' ' VAL . 9.7 m95 -67.3 130.03 41.77 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.491 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 3.9 p -151.21 158.71 44.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.149 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.35 139.04 29.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.966 0.412 . . . . 0.0 111.256 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -106.87 132.58 52.67 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -88.27 119.09 28.35 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.977 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 163.99 -62.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.241 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 pp -122.24 17.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.99 87.24 0.09 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 t -142.88 141.55 31.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 111.891 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m-85 -120.3 161.27 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.463 HG22 ' HB ' ' A' ' 6' ' ' ILE . 100.0 m -146.67 148.6 32.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.613 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.561 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.65 104.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.975 179.041 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 42' ' ' VAL . 43.4 m -109.9 133.12 53.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.67 -178.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.713 179.544 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.413 ' HB ' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.4 p -89.05 123.21 33.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' ' 1' ' ' THR . 57.5 m-85 -109.6 145.65 36.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -133.25 150.66 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.5 tp -129.73 130.8 45.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.093 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.491 ' HB ' HG22 ' A' ' 53' ' ' THR . 34.7 mm -107.31 107.37 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.641 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mt -98.43 127.38 44.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.32 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -127.18 101.11 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.41 179.39 3.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.873 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.04 46.4 1.32 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 179.67 78.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.457 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.89 139.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 149.16 21.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.29 135.52 48.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.775 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.85 125.7 53.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 111.26 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.57 140.2 43.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.227 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 pt -152.05 151.02 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 0.0 111.728 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.79 140.35 2.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.98 121.01 40.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.64 151.48 49.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.15 -46.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.144 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -104.18 -168.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.29 -32.9 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.329 . . . . 0.0 111.115 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.88 -28.09 7.02 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.311 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -78.56 -30.76 47.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.27 -39.22 65.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.796 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.91 -59.7 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.661 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -56.48 -41.2 76.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.14 -51.33 61.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.41 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HA ' HG23 ' A' ' 33' ' ' ILE . 7.5 m-30 -60.98 -42.49 98.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.178 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -30.47 68.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -73.45 -38.31 65.53 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.633 0.254 . . . . 0.0 111.471 -179.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.402 HG23 ' HA ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -79.2 -33.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.942 0.401 . . . . 0.0 111.046 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -33.24 64.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.362 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.71 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.734 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -98.31 -31.88 11.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.92 165.84 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 m -138.69 64.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.7 109.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 171.92 174.86 39.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.533 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 28.1 m -106.02 110.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 0.0 110.631 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.427 ' CD1' HG22 ' A' ' 54' ' ' VAL . 6.7 m95 -70.49 127.75 33.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.296 -179.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -149.36 154.56 39.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.124 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.455 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 2.0 t80 -143.16 141.78 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 111.292 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.7 126.58 50.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -73.78 -12.89 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.474 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.81 -33.41 7.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -160.46 27.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.344 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 51.95 89.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.193 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -160.18 136.3 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.88 161.95 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.521 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.491 HG22 ' HB ' ' A' ' 6' ' ' ILE . 69.9 m -146.66 151.19 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.58 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.57 103.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.131 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 m -108.4 130.3 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.599 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.623 179.638 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 t -101.69 117.35 34.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 62.4 m-85 -102.66 149.06 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.31 149.21 50.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 4.9 tp -130.68 127.95 39.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.136 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 2.4 mp -111.47 124.75 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.629 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mt -111.12 130.98 55.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -126.97 110.12 12.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.52 178.21 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -90.08 52.16 2.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.057 0.456 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.46 -40.6 0.01 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.384 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.36 177.67 10.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.084 0.469 . . . . 0.0 111.078 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.21 153.94 47.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -143.71 141.51 30.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -117.31 126.38 52.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.52 140.85 42.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.164 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -151.93 149.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.07 0.462 . . . . 0.0 111.835 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -168.85 152.67 5.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.583 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -105.61 114.17 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.93 167.84 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.339 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -93.28 20.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.755 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -170.53 -87.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.797 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 171.97 -38.35 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.029 0.442 . . . . 0.0 110.973 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.43 -29.11 7.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.616 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.56 -27.65 37.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.582 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -39.77 59.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.541 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.8 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.494 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -55.35 -38.04 68.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -72.85 -43.82 62.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.037 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 5.6 m-30 -62.5 -41.82 99.09 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.69 -33.14 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.574 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.62 -38.58 70.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.387 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tp -78.49 -34.49 18.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.68 1.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -27.72 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.488 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.18 -17.73 32.0 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -30.25 10.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 111.208 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -150.76 174.3 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.967 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.01 47.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.26 117.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.75 172.83 36.7 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.372 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 10.7 m -102.54 112.12 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.083 0.468 . . . . 0.0 110.558 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CD1' HG23 ' A' ' 54' ' ' VAL . 7.0 m95 -72.24 90.08 1.22 Allowed 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.597 -179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.7 p -106.82 153.46 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.431 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 2.2 t80 -143.34 145.71 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 0.0 111.069 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -120.45 140.68 51.03 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.8 m-20 -87.74 172.45 9.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 3.2 mm-40 85.49 -34.03 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.77 0.669 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.62 -17.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.235 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 2.7 mmtt 62.63 79.57 0.25 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.817 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 98.4 m -148.72 137.93 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.018 0.437 . . . . 0.0 111.696 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.532 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -114.87 159.53 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.444 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.4 m -146.52 148.78 32.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.654 0.264 . . . . 0.0 111.16 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.583 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -126.13 103.27 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.31 0.576 . . . . 0.0 110.293 179.404 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.2 m -108.52 129.62 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.54 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--O 1.256 1.409 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.823 179.698 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.79 107.02 15.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 53.4 m-85 -80.28 149.08 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.774 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -133.44 149.8 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.072 0.463 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.4 tp -127.06 131.86 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.832 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.477 ' HB ' HG22 ' A' ' 53' ' ' THR . 44.8 mm -107.29 110.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mt -102.94 120.7 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.949 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -127.02 106.53 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.29 179.07 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -83.65 62.15 6.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -177.86 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.085 0.469 . . . . 0.0 111.453 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.24 158.76 33.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.33 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -110.26 123.0 48.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.02 141.87 42.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.79 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.37 126.93 52.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -109.7 140.18 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.184 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 pt -152.04 154.44 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 111.628 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -168.82 136.7 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.547 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -92.61 109.39 20.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.68 139.23 36.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 m -59.8 -46.45 93.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.339 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 11.3 p-10 -101.54 -168.8 1.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.06 -30.91 7.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.289 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -35.29 14.1 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.3 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -78.67 -27.85 45.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.95 -38.32 45.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.692 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.64 -59.65 3.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.79 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -39.33 71.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.25 -49.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.507 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' HA ' HG22 ' A' ' 33' ' ' ILE . 2.6 m-85 -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.986 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -31.39 67.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -72.09 -38.5 69.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.211 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -79.85 -33.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.09 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -54.74 -32.2 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.51 -24.84 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.84 -35.03 14.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.29 -175.48 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 t -150.18 40.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.2 128.44 0.87 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.218 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.34 172.1 34.12 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.64 107.85 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.484 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.469 ' CD1' HG21 ' A' ' 54' ' ' VAL . 8.5 m95 -69.62 128.69 37.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.401 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 2.2 p -151.14 156.35 40.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.443 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 2.9 t80 -143.39 142.8 31.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.071 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -120.38 142.83 48.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.821 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.1 t0 -86.68 178.52 7.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 1.9 mm-40 85.16 -34.44 0.05 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.5 pt -130.68 -5.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.639 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.41 87.43 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.715 0.293 . . . . 0.0 111.306 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.4 p -155.14 139.18 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.701 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.8 163.26 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.421 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.477 HG22 ' HB ' ' A' ' 6' ' ' ILE . 81.4 m -146.23 151.29 37.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.156 -0.34 . . . . 0.0 111.65 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.569 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.65 103.25 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.375 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.9 m -104.69 125.64 50.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.51 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.601 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.744 0.306 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -140.19 134.09 30.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 26.8 m-85 -122.03 149.96 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -132.71 150.13 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 5.8 tp -131.0 123.78 29.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.977 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HB ' HG21 ' A' ' 53' ' ' THR . 30.9 mm -103.18 112.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -98.89 124.6 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -127.2 101.13 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.94 178.84 4.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -88.34 55.96 3.63 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.13 -49.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.221 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.72 -169.34 2.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.17 139.05 49.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.35 0.595 . . . . 0.0 110.709 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.38 135.4 44.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -114.97 127.03 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.05 133.03 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.3 pt -151.7 148.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 29' ' ' TYR . 2.1 ttpp -168.93 145.19 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.509 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -89.96 128.6 36.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.47 157.27 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -62.51 -49.74 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -119.73 -167.47 1.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.755 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . . . -94.92 -34.03 12.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.065 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.99 -29.93 8.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.395 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -80.59 -28.9 36.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.857 0.361 . . . . 0.0 110.573 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.29 -42.9 24.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.611 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.41 -60.93 2.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.211 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -36.65 65.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.278 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.418 ' CE2' ' HE2' ' A' ' 18' ' ' LYS . 39.8 t80 -75.98 -38.77 57.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.883 0.373 . . . . 0.0 110.263 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 4.0 m-30 -67.11 -43.36 82.67 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -60.53 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.954 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.58 -41.86 91.16 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.279 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.9 tp -74.59 -29.9 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.905 0.384 . . . . 0.0 110.803 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 38' ' ' THR . . . -58.73 -72.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -12.64 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.32 -20.51 47.72 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.507 ' HG3' ' N ' ' A' ' 38' ' ' THR . 2.1 ptpp? -144.3 -38.89 0.29 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.507 ' N ' ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -92.9 176.19 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -173.76 131.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.106 0.479 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.07 123.92 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.499 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.61 173.1 36.85 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.78 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 23.8 t -107.39 107.29 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.117 0.484 . . . . 0.0 110.518 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.452 ' CD1' HG22 ' A' ' 54' ' ' VAL . 6.9 m95 -67.93 112.03 4.71 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.591 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -130.86 160.13 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.201 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.43 147.5 34.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 13.6 mtpt -117.89 133.55 55.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.99 121.5 29.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 163.27 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.385 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.3 mm -124.48 20.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.371 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.89 86.99 0.08 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.554 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.401 ' CG2' ' HB2' ' A' ' 46' ' ' LYS . 3.5 t -140.36 143.73 35.9 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.95 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.9 m-85 -124.69 160.44 28.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.45 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.485 HG21 ' HB ' ' A' ' 6' ' ' ILE . 66.3 m -146.59 153.19 40.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.562 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.6 103.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.347 0.594 . . . . 0.0 110.177 179.236 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.2 p -106.58 128.56 54.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.732 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.973 179.648 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.69 0.281 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 t -101.54 132.13 47.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 31.7 m-85 -118.91 149.52 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -130.45 150.17 51.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.96 0.41 . . . . 0.0 111.186 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 3.8 tp -130.91 133.66 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.228 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.549 ' HB ' HG23 ' A' ' 53' ' ' THR . 2.4 mp -105.06 115.23 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.594 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.6 mt -103.91 127.85 51.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.329 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -122.07 101.27 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.99 179.28 4.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -88.92 46.03 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.002 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -179.73 83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.85 147.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -89.11 136.57 32.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -123.24 144.62 49.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -124.14 125.51 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.5 138.38 45.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.3 pt -151.93 161.73 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.018 0.437 . . . . 0.0 111.67 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.8 166.08 11.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.998 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.56 129.19 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.82 178.98 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -92.28 20.81 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.834 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.45 -165.48 0.33 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.25 -40.67 4.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.531 0.205 . . . . 0.0 111.066 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.52 -29.08 11.02 Favored Glycine 0 CA--C 1.511 -0.216 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.89 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -75.4 -29.93 59.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.484 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.53 -36.6 63.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.4 tt0 -68.3 -74.76 0.12 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.42 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.09 -30.57 1.94 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 9.9 t80 -78.83 -45.55 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 5.8 m-30 -63.36 -40.85 98.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -40.24 89.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.87 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.12 -41.14 92.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.966 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 tp -77.59 -29.41 16.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.802 0.334 . . . . 0.0 110.83 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.38 -64.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -25.17 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.873 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.35 -67.49 0.79 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.83 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -69.41 -30.18 68.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.966 -179.114 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' LYS . 17.6 p -118.6 176.57 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.196 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -166.63 31.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.82 124.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.967 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 169.21 169.57 32.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.925 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.8 t -102.03 107.66 22.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.294 0.569 . . . . 0.0 109.967 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.479 ' CD1' HG23 ' A' ' 54' ' ' VAL . 6.7 m95 -69.44 126.82 30.93 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.719 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 7.3 t -151.6 155.16 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.45 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 1.3 t80 -143.4 147.99 35.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 111.191 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.55 137.84 54.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.632 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 4.8 t0 -88.07 166.91 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.2 tp10 90.94 -33.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.358 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.27 -15.96 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 61.46 80.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -151.5 141.21 21.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.723 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -114.94 163.76 15.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.431 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.549 HG23 ' HB ' ' A' ' 6' ' ' ILE . 62.5 m -146.39 150.94 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.841 0.353 . . . . 0.0 111.551 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.583 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -135.64 100.58 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.206 0.527 . . . . 0.0 110.43 179.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.6 m -94.96 117.61 30.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.684 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.48 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.724 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.5 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.06 130.21 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.452 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 24.5 m-85 -120.49 146.63 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -125.51 148.98 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.188 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.7 tp -127.63 131.48 49.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.181 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HB ' HG21 ' A' ' 53' ' ' THR . 3.4 mp -111.68 107.59 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -97.99 123.68 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.25 104.15 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -95.0 179.44 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -47.39 7.87 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.16 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -144.6 66.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 111.65 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . . . 168.4 152.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.27 124.51 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.82 135.49 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.639 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -111.78 117.07 31.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.273 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.49 130.41 55.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.41 HG22 HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.1 152.54 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 111.556 -179.412 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.86 152.81 5.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.562 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -112.45 137.61 50.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.8 177.07 8.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 111.339 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.09 -47.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.844 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.76 -75.17 0.6 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.34 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . . . -178.45 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.04 -29.52 3.42 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -32.4 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.1 63.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 110.707 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.7 tt0 -64.74 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -47.5 -30.01 3.17 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.484 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.1 t80 -78.04 -46.86 19.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 5.7 m-30 -62.57 -40.89 98.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -60.43 -37.05 79.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.935 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.37 -39.43 93.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.284 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -76.55 -34.39 24.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.387 . . . . 0.0 110.544 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' HG21 ' A' ' 33' ' ' ILE . . . -63.12 -59.41 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.374 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -33.73 64.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.836 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.1 6.15 47.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.425 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.59 -37.34 8.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.143 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -176.27 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.39 0.138 . . . . 0.0 111.219 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t 74.58 63.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.95 118.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.53 175.86 35.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.617 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 28.6 m -107.13 111.08 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.174 0.512 . . . . 0.0 110.534 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.458 ' CD1' HG21 ' A' ' 54' ' ' VAL . 9.4 m95 -66.68 113.57 4.92 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.164 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -134.07 164.58 27.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.43 36.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.026 0.441 . . . . 0.0 111.1 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -115.39 131.56 56.89 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.648 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 12.7 t70 -88.75 121.55 31.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.111 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 2.4 mm-40 155.55 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.466 0.707 . . . . 0.0 110.279 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.9 mp -130.18 16.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 57.1 86.37 0.07 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.9 p -140.03 129.21 23.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.997 0.427 . . . . 0.0 111.719 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.519 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 3.9 m-85 -106.31 158.85 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 54' ' ' VAL . 92.7 m -146.55 151.44 37.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.987 0.422 . . . . 0.0 111.37 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.575 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -133.64 101.73 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.124 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -103.2 129.24 50.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.641 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.673 179.702 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.762 0.315 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 p -114.29 142.41 46.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.2 m-85 -122.23 149.9 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' CG ' ' CG2' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -125.83 151.3 47.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.061 0.458 . . . . 0.0 110.985 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 6.5 tp -133.31 129.7 37.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.149 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.522 ' HB ' HG21 ' A' ' 53' ' ' THR . 39.6 mm -103.39 107.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.926 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.7 mt -95.19 123.51 38.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.202 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 101.28 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' CD1' ' HB1' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -105.36 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -40.84 -53.88 2.79 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.053 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -143.54 73.71 1.4 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.392 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 9' ' ' LEU . . . 169.02 146.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.047 0.451 . . . . 0.0 111.147 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -136.76 107.27 6.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -118.09 150.59 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.18 128.62 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -109.46 138.76 45.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.196 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CG2' ' CG ' ' A' ' 4' ' ' LYS . 4.8 pt -145.98 162.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.997 0.427 . . . . 0.0 111.783 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HD2' ' CZ ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -168.83 140.64 2.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.642 -179.358 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.13 116.1 31.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.88 171.21 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -92.34 20.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.691 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.4 t0 -174.17 -166.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 110.666 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.58 -37.98 7.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.244 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.47 -32.96 10.92 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.566 -0.825 . . . . 0.0 112.227 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -80.79 -27.83 36.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.582 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.48 -41.32 27.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.597 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.06 -58.77 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -55.02 -39.23 68.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.417 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 32.6 t80 -71.78 -43.28 65.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.14 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-30 -63.28 -43.55 97.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.135 0.493 . . . . 0.0 109.745 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -34.5 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.082 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.66 -38.64 77.17 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.197 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.436 HG23 ' HA ' ' A' ' 30' ' ' PHE . 1.1 tp -81.43 -36.47 14.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.823 0.344 . . . . 0.0 110.983 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -62.22 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.83 -23.85 64.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.551 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -99.83 -31.95 11.25 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 -177.37 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.954 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -153.56 37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -174.78 135.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.33 172.83 30.27 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.595 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 5.3 t -101.81 107.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.152 0.501 . . . . 0.0 110.054 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.41 ' CD1' HG21 ' A' ' 54' ' ' VAL . 10.7 m95 -69.36 118.94 12.88 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.5 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.64 165.7 26.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.164 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.31 131.63 22.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.123 0.487 . . . . 0.0 111.349 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -92.92 128.9 38.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.42 113.48 24.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 165.88 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.402 ' CD1' ' CG2' ' A' ' 51' ' ' THR . 1.4 pt -117.68 17.3 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.605 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 61.0 90.55 0.06 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.997 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 ' CG2' ' CD1' ' A' ' 49' ' ' ILE . 80.4 p -149.23 146.16 27.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 0.0 112.017 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 2.4 m-85 -120.61 160.93 22.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.082 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.522 HG21 ' HB ' ' A' ' 6' ' ' ILE . 55.4 m -146.68 152.41 38.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 111.576 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.585 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.66 100.64 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.082 179.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -101.02 124.67 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.584 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.714 179.716 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -94.15 136.13 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 59.4 m-85 -126.58 148.74 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -133.01 149.69 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 3.0 tp -132.28 128.02 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.372 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.499 ' HB ' HG22 ' A' ' 53' ' ' THR . 36.0 mm -102.01 107.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -98.34 119.52 37.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.232 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -124.01 100.64 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 179.34 3.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -82.71 50.37 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.31 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.434 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.16 168.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -117.74 140.57 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.13 143.89 50.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -118.09 137.74 52.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.82 138.04 51.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.394 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 pt -152.09 153.08 10.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 111.602 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.89 142.51 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.641 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.77 110.73 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.01 177.21 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.38 20.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.695 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.06 -165.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.695 0.283 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.58 -35.46 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.17 -31.25 11.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.088 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -80.26 -28.01 38.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.477 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.56 -39.08 53.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.674 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.16 -61.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -55.12 -34.54 63.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.45 -43.47 39.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.775 0.321 . . . . 0.0 110.184 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 6.2 m-30 -63.86 -42.09 97.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -37.43 80.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.03 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.29 -37.86 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.249 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.408 HG22 ' HA ' ' A' ' 30' ' ' PHE . 7.3 tp -79.81 -31.61 13.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.36 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.746 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -35.72 67.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.7 62.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.13 -33.54 22.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.21 -176.59 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.18 55.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -165.82 117.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.784 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.64 172.15 33.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.62 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 30.4 m -102.81 110.95 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.214 0.53 . . . . 0.0 110.347 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.456 ' CD1' HG22 ' A' ' 54' ' ' VAL . 7.5 m95 -71.81 105.97 3.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.486 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 17.0 p -123.0 155.51 36.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.011 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.445 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.31 143.51 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.638 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -114.93 144.71 43.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.264 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -95.59 -9.1 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.75 -33.83 68.89 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.339 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -158.32 32.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 4.8 mmtt 48.87 88.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.22 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.2 m -153.57 133.27 13.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -110.21 161.42 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.555 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.499 HG22 ' HB ' ' A' ' 6' ' ' ILE . 64.0 m -146.71 152.29 38.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.418 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.584 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.9 101.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.071 179.229 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -106.16 127.44 53.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.517 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.942 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 119.82 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.442 ' CE2' ' HD3' ' A' ' 50' ' ' LYS . 41.2 m-85 -115.95 149.42 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.73 149.29 51.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 111.161 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.3 tp -124.95 121.92 35.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.154 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 2.7 mp -100.65 115.69 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.14 125.7 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -126.08 101.3 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.18 179.0 4.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -55.77 -46.31 77.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.261 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.15 58.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.983 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -177.23 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -97.8 120.16 37.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.722 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.52 142.19 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -103.37 130.84 50.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.58 140.79 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.485 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 pt -151.94 147.94 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 0.0 111.589 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.85 140.4 2.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.543 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.47 120.11 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.5 171.57 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 14.9 p -93.33 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.6 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -169.22 -166.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.658 0.266 . . . . 0.0 110.817 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.42 -38.73 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.25 -28.52 8.85 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.131 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -80.76 -29.29 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.486 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.06 -39.77 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.24 -60.28 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.437 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -54.96 -36.69 65.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -73.04 -48.39 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.534 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.409 ' HA ' HG22 ' A' ' 33' ' ' ILE . 7.0 m-30 -61.6 -42.64 99.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.877 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -34.27 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.42 -37.86 80.68 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.285 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 34' ' ' ALA . 6.8 tp -80.16 -36.7 16.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' N ' HG21 ' A' ' 33' ' ' ILE . . . -58.95 -69.06 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -33.44 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.97 -24.64 64.58 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -153.01 43.76 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -165.33 117.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.39 27.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.325 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 179.35 119.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.75 165.34 34.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.645 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -108.28 105.88 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.243 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.452 ' CD1' HG22 ' A' ' 54' ' ' VAL . 9.0 m95 -64.91 127.3 30.99 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.524 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 t -151.45 167.5 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.392 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.29 139.3 30.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.046 0.45 . . . . 0.0 111.265 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.55 135.16 44.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.14 118.11 28.61 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.37 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.169 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.94 24.65 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HD3' ' CE2' ' A' ' 3' ' ' TYR . 1.5 mmpt? 58.57 88.9 0.06 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.621 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 17.5 p -141.2 147.02 37.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.195 0.522 . . . . 0.0 112.212 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 5.7 m-85 -123.23 156.9 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.929 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 54' ' ' VAL . 86.8 m -146.37 153.23 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.419 . . . . 0.0 111.603 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.542 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.25 106.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.196 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.6 m -109.99 127.79 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.439 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.786 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.751 0.31 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 p -102.22 115.07 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -103.64 141.87 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -123.2 151.34 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.137 0.494 . . . . 0.0 111.104 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.524 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 5.4 tp -130.16 124.24 32.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.072 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.474 ' HB ' HG22 ' A' ' 53' ' ' THR . 43.4 mm -103.27 109.23 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.988 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mt -100.54 125.97 46.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.197 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.25 101.39 6.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.48 178.9 4.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.031 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 66.81 4.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.71 -46.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.68 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -91.95 124.72 36.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 110.697 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.97 136.53 53.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -111.11 123.42 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.422 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.47 135.9 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.318 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 pt -146.06 155.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.057 0.456 . . . . 0.0 111.543 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -168.75 134.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.584 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.13 114.32 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.9 168.44 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.46 20.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -159.39 -165.43 1.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.761 0.315 . . . . 0.0 110.772 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.13 -41.18 2.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.09 -31.08 10.77 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.904 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -29.27 39.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.365 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.386 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.07 -61.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.521 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.23 -36.3 63.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -71.62 -51.8 21.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' HA ' HG23 ' A' ' 33' ' ' ILE . 2.2 m-85 -60.27 -42.85 96.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.993 0.425 . . . . 0.0 109.921 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -57.58 -32.34 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.006 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.43 -38.62 71.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.42 HG23 ' HA ' ' A' ' 30' ' ' PHE . 1.9 tp -81.75 -35.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 110.757 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -63.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -37.28 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.32 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.1 61.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.697 0.284 . . . . 0.0 111.632 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -100.26 -28.79 12.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 179.15 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 t -149.09 37.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -176.42 134.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.58 169.52 27.18 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.579 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 27.9 m -103.23 108.87 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.229 0.537 . . . . 0.0 110.367 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.475 ' CD1' HG23 ' A' ' 54' ' ' VAL . 9.1 m95 -70.81 126.86 30.75 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.465 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 22.6 p -147.57 147.21 29.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.207 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.438 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 17.8 t80 -143.07 138.62 30.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.114 0.483 . . . . 0.0 111.565 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CD ' ' HB3' ' A' ' 48' ' ' GLU . 4.0 ttmt -120.72 124.96 46.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.169 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -25.06 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' HB3' ' CD ' ' A' ' 46' ' ' LYS . 18.4 tp10 -52.93 -34.56 55.92 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.084 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.6 mt -128.78 0.86 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.54 69.18 0.75 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.015 0.436 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 p -152.61 142.47 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 111.461 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -106.03 162.96 13.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.596 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 6' ' ' ILE . 86.9 m -146.62 148.13 31.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.799 0.333 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.575 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.58 102.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.252 0.548 . . . . 0.0 110.428 179.352 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.72 125.32 50.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.526 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.698 179.802 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.796 0.331 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m -140.07 113.93 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.1 m-85 -104.78 148.75 26.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.88 149.03 51.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.5 tp -132.89 129.54 38.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.054 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HB ' HG23 ' A' ' 53' ' ' THR . 2.8 mp -104.6 111.72 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.737 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.85 127.42 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -126.9 101.16 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.786 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.74 179.27 4.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -82.15 54.06 2.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.663 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 171.85 86.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.231 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.78 171.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -117.51 136.36 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.42 136.8 54.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.734 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -111.9 127.37 55.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.237 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.58 132.25 54.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.401 ' CD1' ' N ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.12 152.21 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.41 . . . . 0.0 111.517 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 8.0 tttp -168.94 144.3 3.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.698 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -96.79 121.98 39.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.9 142.95 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.3 m -59.77 -46.55 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 54.8 p-10 -112.68 -167.35 1.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.764 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.84 -34.53 9.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.738 0.304 . . . . 0.0 111.243 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -33.36 10.84 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.174 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -80.92 -28.63 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.86 -41.57 43.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.45 -59.64 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -55.38 -37.14 67.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 14.6 t80 -72.89 -49.37 30.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' HA ' HG21 ' A' ' 33' ' ' ILE . 1.5 m-85 -61.11 -43.85 98.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -57.92 -35.21 70.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -66.55 -39.89 88.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.164 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 34' ' ' ALA . 6.8 tp -78.42 -37.39 21.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.839 0.352 . . . . 0.0 110.804 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -64.96 -63.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -55.08 -28.38 51.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 -0.14 57.44 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -37.59 7.22 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.666 0.246 . . . . 0.0 111.666 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.6 p -140.15 -42.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.608 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 t 78.7 31.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.872 0.367 . . . . 0.0 111.0 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.66 146.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.829 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.07 178.07 30.79 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.73 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 6.5 t -107.51 106.45 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.022 0.439 . . . . 0.0 110.208 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -65.07 129.15 38.66 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.501 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.37 154.24 36.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.263 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.25 146.85 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.07 0.462 . . . . 0.0 111.17 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -119.71 136.89 54.24 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.741 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 3.3 t0 -87.79 123.48 32.63 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER 164.12 -61.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.674 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.418 ' N ' ' HG2' ' A' ' 48' ' ' GLU . 3.4 mt -128.49 22.3 2.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.052 0.454 . . . . 0.0 110.077 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.3 84.39 0.11 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 t -134.35 143.88 47.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.104 0.478 . . . . 0.0 111.941 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -129.57 158.49 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.264 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.443 HG23 ' HB ' ' A' ' 6' ' ' ILE . 94.2 m -146.54 149.54 33.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.561 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.64 104.26 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.087 179.187 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.5 m -102.02 125.86 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.583 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.745 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.834 0.35 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.4 p -97.45 88.39 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 61.4 m-85 -74.18 147.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -126.31 149.68 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.8 tp -133.13 120.45 21.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.439 ' HB ' HG22 ' A' ' 53' ' ' THR . 2.8 mp -96.92 107.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -101.46 131.01 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.072 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.12 100.99 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.491 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.92 167.58 10.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.13 -25.01 29.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.428 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.37 90.92 3.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.791 0.329 . . . . 0.0 111.074 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 54.57 173.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.267 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -111.27 134.11 53.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.675 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.52 144.71 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -117.8 132.23 56.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.67 139.82 44.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.404 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.1 pt -152.1 150.12 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.578 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -168.89 141.48 2.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.673 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -102.76 117.7 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.74 177.11 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -92.3 20.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.649 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -178.04 -165.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.285 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.47 -37.82 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.37 -29.65 10.92 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.142 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -28.44 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.341 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.65 49.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.588 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.77 -58.9 4.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -56.24 -38.16 70.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.826 0.346 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 3.9 m-30 -61.33 -43.26 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -36.34 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.061 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.99 -41.31 95.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.688 0.28 . . . . 0.0 111.258 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 tp -74.45 -29.99 25.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.813 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -68.39 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.736 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -20.36 37.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.456 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.54 -23.96 29.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.56 0.219 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.61 -31.93 10.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 120.746 0.308 . . . . 0.0 111.333 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -165.94 -177.3 4.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.809 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.52 63.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.252 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.71 123.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.74 172.5 32.28 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.682 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 7.7 t -104.51 107.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 110.415 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.485 ' CD1' HG22 ' A' ' 54' ' ' VAL . 8.2 m95 -69.88 128.02 34.92 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.482 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 7.2 t -151.51 159.58 44.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.1 t80 -143.26 143.0 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.11 0.481 . . . . 0.0 111.459 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -120.64 133.46 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.45 -4.54 51.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.685 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -51.27 -35.32 36.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.096 0.474 . . . . 0.0 111.356 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -162.85 28.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.16 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 56.54 85.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.039 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -157.22 138.94 14.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 111.417 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.74 164.83 11.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.305 179.621 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.439 HG22 ' HB ' ' A' ' 6' ' ' ILE . 67.7 m -146.56 150.7 36.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.568 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.51 103.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.294 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 m -103.13 125.45 49.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.38 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.585 179.751 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.93 0.395 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -95.53 131.19 41.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 28.5 m-85 -116.3 149.17 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -130.27 149.95 51.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.782 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 5.9 tp -132.98 134.05 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.416 ' HB ' HG23 ' A' ' 53' ' ' THR . 3.3 mp -110.13 108.52 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.661 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 mt -103.18 131.08 50.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 105.42 8.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.16 178.93 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -78.63 63.5 3.44 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -178.26 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.47 -169.55 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 124.75 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 127.37 55.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.7 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -100.18 126.52 46.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 111.035 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.48 131.08 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.614 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.84 150.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.385 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -168.82 144.28 3.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.763 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.07 125.94 40.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.52 161.64 37.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 m -59.82 -46.39 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.31 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -131.52 -165.02 1.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.75 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.63 -34.51 18.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.238 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.19 10.81 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.186 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -79.68 -29.34 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.48 -42.97 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.51 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.82 -54.42 39.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.97 75.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.303 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.53 -45.29 46.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.861 0.363 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.467 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 4.2 m-30 -61.47 -43.12 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -58.85 -37.43 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.913 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -62.97 -41.13 99.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.115 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -76.15 -28.37 18.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.9 0.381 . . . . 0.0 111.005 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.54 -71.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.72 -20.67 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.761 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.73 -67.68 0.74 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.871 0.367 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -25.53 64.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.184 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -134.76 172.12 13.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -148.79 31.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.302 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.7 142.42 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.37 171.74 28.92 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.698 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 11.5 t -105.37 107.64 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.093 0.473 . . . . 0.0 110.329 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.424 ' CD1' HG21 ' A' ' 54' ' ' VAL . 8.8 m95 -66.13 129.2 39.0 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.531 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.1 p -151.22 157.69 42.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.195 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.43 148.63 36.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 111.24 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -117.9 132.13 56.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.581 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 8.7 t70 -88.6 123.15 32.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.0 mm-40 154.77 -51.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.1 pp -128.66 15.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.843 0.354 . . . . 0.0 110.504 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 8.2 mmtt 57.86 82.7 0.12 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -138.41 138.54 38.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 111.71 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -119.51 161.45 20.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.343 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.416 HG23 ' HB ' ' A' ' 6' ' ' ILE . 91.4 m -146.55 149.77 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 111.487 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.569 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -135.72 103.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.118 179.017 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.85 125.81 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.495 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.692 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.6 105.58 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 57.4 m-85 -102.6 148.93 24.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.5 150.15 48.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 0.0 111.053 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.6 tp -126.5 127.93 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.002 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.458 ' HB ' HG23 ' A' ' 53' ' ' THR . 44.5 mm -104.17 112.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.48 130.96 45.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.016 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.21 101.53 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -113.62 157.98 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -39.33 70.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -61.59 2.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.78 -175.46 5.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -113.91 139.28 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.7 144.28 51.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -109.83 123.52 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.98 0.419 . . . . 0.0 111.368 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.56 133.25 53.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.423 HG23 HD13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.6 157.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.024 0.44 . . . . 0.0 111.528 -179.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.81 144.11 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.6 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -110.54 114.89 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 161.37 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.28 20.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.682 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -162.6 -165.83 1.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.729 0.3 . . . . 0.0 110.684 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.25 -38.3 3.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.05 -30.81 10.19 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.099 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -81.37 -27.95 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.6 49.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.995 0.426 . . . . 0.0 110.639 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.05 -59.95 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.457 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -54.95 -37.25 66.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -71.95 -52.33 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.94 -42.24 93.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.884 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -40.28 79.2 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.27 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 34' ' ' ALA . 1.2 tp -75.9 -37.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.869 0.366 . . . . 0.0 110.532 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' THR . . . -56.83 -73.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.476 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.63 7.28 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 15.93 1.12 Allowed 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER 176.61 -76.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 111.588 179.227 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 t 79.86 33.7 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -164.43 128.24 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.05 -179.7 31.76 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 10.5 t -104.51 107.65 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.276 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.431 ' CD1' HG21 ' A' ' 54' ' ' VAL . 7.3 m95 -68.52 129.66 40.56 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.597 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.28 147.86 27.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.103 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.435 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 4.0 t80 -143.12 139.97 30.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 111.47 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -120.44 118.66 30.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.377 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -17.8 62.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.423 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.92 -29.79 57.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.707 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.4 pt -145.9 18.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 47.04 78.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.901 0.382 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.8 m -155.26 136.15 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.596 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -108.93 159.66 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.364 179.481 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.458 HG23 ' HB ' ' A' ' 6' ' ' ILE . 98.2 m -146.53 150.11 34.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.247 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.573 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.46 103.78 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.213 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.1 p -100.71 123.92 45.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.806 179.725 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -126.83 133.26 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 27.9 m-85 -127.16 145.53 50.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -130.51 150.46 51.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.5 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 3.4 tp -132.06 129.09 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.152 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HB ' HG21 ' A' ' 53' ' ' THR . 35.8 mm -102.45 107.52 22.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.02 116.82 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.076 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -113.28 101.25 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mp -101.08 168.59 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.974 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -21.15 19.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.632 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.67 115.17 8.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 72.28 154.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.357 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -126.54 137.55 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.3 162.68 24.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -129.8 135.12 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.77 132.11 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.64 157.07 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.028 0.442 . . . . 0.0 111.724 -179.428 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.82 144.43 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.625 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.52 117.54 32.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.79 147.94 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -59.78 -35.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.533 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 2.8 p30 -121.43 -167.63 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.693 0.282 . . . . 0.0 110.742 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.24 -30.97 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.98 -39.72 19.07 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.156 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -27.17 55.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.86 -36.89 49.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.56 -60.25 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.541 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -56.79 -42.34 79.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.27 -42.44 93.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.428 ' HA ' HG23 ' A' ' 33' ' ' ILE . 3.3 m-30 -65.43 -42.18 92.74 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.69 81.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.23 -38.95 92.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.356 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.428 HG23 ' HA ' ' A' ' 30' ' ' PHE . 6.9 tp -80.07 -33.48 14.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.03 -62.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.643 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -35.11 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -23.88 62.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.467 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.26 -1.73 15.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.582 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -163.77 168.56 19.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 t -148.64 37.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.13 129.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 169.54 169.08 32.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.45 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 42' ' ' VAL . 10.9 m -104.39 109.97 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.162 0.506 . . . . 0.0 110.246 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -69.33 127.64 33.76 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.384 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 70.4 p -151.35 158.69 44.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.38 146.47 33.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.022 0.439 . . . . 0.0 111.174 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.02 132.23 55.47 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.8 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -89.52 115.61 27.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 163.84 -62.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.004 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.5 mt -118.28 16.74 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.55 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.98 88.21 0.07 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 27.1 m -143.1 144.34 32.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.186 0.517 . . . . 0.0 112.184 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -127.83 156.93 41.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.846 179.296 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.527 HG21 ' HB ' ' A' ' 6' ' ' ILE . 57.8 m -146.46 150.97 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.187 0.518 . . . . 0.0 111.725 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.563 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.75 103.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.012 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 42' ' ' VAL . 38.9 m -106.21 129.25 54.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.833 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 29.3 tt0 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.699 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -119.6 125.91 49.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.3 m-85 -128.48 141.89 51.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 150.34 52.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.9 tp -129.78 131.5 46.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' HB ' HG21 ' A' ' 53' ' ' THR . 2.8 mp -110.14 107.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.796 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.67 128.09 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.2 101.4 6.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.96 179.19 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -81.81 61.02 4.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.976 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.84 -48.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.83 -167.62 2.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 146.34 40.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.31 134.07 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.742 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -104.49 124.35 49.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.349 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.56 132.27 54.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.303 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.72 151.18 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.539 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -168.84 148.21 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.635 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.05 118.51 36.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.73 160.57 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.16 20.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.719 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.41 -166.77 1.59 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.68 0.276 . . . . 0.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.99 -39.73 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 -31.65 9.82 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.037 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -82.44 -28.26 31.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.427 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.06 28.26 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.49 -58.49 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -40.47 69.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.51 -50.04 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.167 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' HA ' HG23 ' A' ' 33' ' ' ILE . 2.0 m-85 -61.21 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.936 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -57.89 -32.81 68.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.143 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.19 -38.66 75.39 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.146 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 30' ' ' PHE . 8.1 tp -81.03 -32.61 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -61.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.669 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -34.78 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.65 -22.31 56.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 -33.23 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 0.0 111.23 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.02 173.85 12.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.0 33.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.44 132.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.78 174.3 38.59 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 2.7 t -103.13 105.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 0.0 110.306 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.447 ' CD1' HG23 ' A' ' 54' ' ' VAL . 10.0 m95 -70.33 97.94 1.32 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.491 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -116.65 158.64 23.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.358 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.33 146.37 33.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 0.1 OUTLIER -116.99 137.25 52.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.819 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.32 121.48 31.64 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.968 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 164.34 -62.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.249 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.8 mt -126.31 19.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.414 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.94 89.9 0.08 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 14.5 t -141.62 143.56 33.72 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.354 -0.538 . . . . 0.0 112.167 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -128.11 157.34 41.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.229 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.428 HG21 ' HB ' ' A' ' 6' ' ' ILE . 98.9 m -146.41 150.63 36.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.57 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -130.53 102.91 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.375 0.607 . . . . 0.0 110.259 179.229 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 m -100.18 124.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.358 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.665 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.841 0.353 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.32 112.46 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.404 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 62.9 m-85 -100.81 148.63 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -137.33 150.48 47.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.965 0.412 . . . . 0.0 111.221 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.0 tp -129.61 118.1 21.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.947 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.532 ' HB ' HG22 ' A' ' 53' ' ' THR . 35.1 mm -92.86 107.48 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.3 mt -91.98 125.93 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.403 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.21 100.89 6.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.47 179.48 3.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.974 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.48 17.74 2.54 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.494 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -149.48 80.36 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 68.31 146.95 0.05 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.64 150.62 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.9 140.23 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -113.48 125.84 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.59 132.06 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.443 HG22 HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.49 153.3 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 111.503 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HE2' ' CD2' ' A' ' 29' ' ' TYR . 2.2 ttpp -168.89 144.16 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.629 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -96.52 122.59 39.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.85 147.71 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.2 m -59.87 -47.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.345 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 13.8 p-10 -114.49 -167.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.82 -31.31 11.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.07 -30.92 10.42 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -29.24 44.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.557 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.16 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -64.52 -59.62 4.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.455 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.88 -40.65 73.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.425 ' CD2' ' HE2' ' A' ' 18' ' ' LYS . 31.6 t80 -70.94 -46.07 63.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.351 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 109.844 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -60.51 -30.7 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.397 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.27 -38.09 63.52 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -74.76 -40.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 110.979 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' HG21 ' A' ' 33' ' ' ILE . . . -61.16 -57.13 13.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.683 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -34.5 62.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 5.77 49.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.706 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -40.71 5.64 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.465 0.174 . . . . 0.0 111.373 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -168.53 -50.11 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.259 0.552 . . . . 0.0 111.602 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 t 77.9 63.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.057 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.06 121.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.43 -178.71 33.65 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.726 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 11.5 t -104.59 108.83 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.394 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CD1' HG23 ' A' ' 54' ' ' VAL . 5.5 m95 -69.11 108.75 3.71 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.431 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 81.8 p -126.88 154.49 44.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.462 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.14 144.05 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.321 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 140.19 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.524 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.46 -3.78 58.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.494 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.49 -35.14 52.27 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.605 0.241 . . . . 0.0 111.121 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -166.99 32.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.246 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 56.41 83.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.389 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.6 m -147.59 134.05 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.345 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -111.26 159.64 17.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.514 179.791 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.532 HG22 ' HB ' ' A' ' 6' ' ' ILE . 92.5 m -146.54 154.24 41.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.993 0.425 . . . . 0.0 110.987 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.586 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.72 101.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 0.0 110.167 179.172 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.2 m -100.51 124.37 45.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.475 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.808 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.36 101.32 12.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 57.1 m-85 -80.58 149.03 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.42 151.24 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 111.156 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 6.6 tp -138.16 117.65 12.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.001 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' HB ' HG22 ' A' ' 53' ' ' THR . 36.9 mm -98.91 114.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mt -105.32 125.64 51.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -118.45 116.49 26.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.19 178.98 4.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -93.97 47.1 1.2 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.66 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 -169.92 3.12 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.57 127.4 29.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.26 136.7 49.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.763 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -109.24 119.82 40.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.49 132.06 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.307 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.442 HG23 HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -143.31 161.09 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.655 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' CD ' ' CG ' ' A' ' 29' ' ' TYR . 2.7 tttp -168.79 148.73 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -111.35 111.92 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.07 149.75 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -59.9 -46.57 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -106.54 -167.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.782 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.66 -33.38 9.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.83 -31.09 9.71 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.229 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -80.2 -29.46 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.541 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 3' ' ' TYR . . . -76.77 -42.17 41.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -58.44 6.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.398 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -40.91 72.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.452 ' CG ' ' CD ' ' A' ' 18' ' ' LYS . 21.6 t80 -69.98 -45.2 67.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.307 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 3.0 m-30 -62.37 -43.76 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.012 0.434 . . . . 0.0 109.958 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -30.93 66.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.37 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.6 -38.37 62.61 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.657 0.265 . . . . 0.0 111.481 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.419 HG22 ' HA ' ' A' ' 30' ' ' PHE . 8.6 tp -79.21 -39.24 20.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.883 0.373 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.71 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.652 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -37.62 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.83 59.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.672 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 10.06 13.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.542 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.88 173.32 10.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.041 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -154.4 25.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.64 133.64 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.64 172.01 35.81 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 13.4 p -108.81 109.44 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 0.0 110.331 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.447 ' CD1' HG22 ' A' ' 54' ' ' VAL . 9.4 m95 -67.19 127.1 31.35 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.487 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -146.3 159.84 42.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.959 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.0 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.44 . . . . 0.0 111.236 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -120.67 137.85 54.24 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.688 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.16 125.19 33.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.321 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 163.17 -61.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.381 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.24 23.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.258 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.78 84.53 0.13 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.674 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 t -133.38 140.64 47.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.97 0.414 . . . . 0.0 111.707 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -123.85 162.12 23.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.499 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.451 HG22 ' HB ' ' A' ' 6' ' ' ILE . 65.3 m -146.59 151.34 37.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 111.347 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.56 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.55 105.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.297 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 m -109.47 129.27 55.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.591 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.718 179.645 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 p -131.19 106.41 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 20.1 m-85 -102.04 149.1 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -129.19 151.34 49.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.188 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.9 tp -130.98 118.63 20.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.871 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 2.7 mp -100.28 121.35 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.6 mt -112.14 130.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -121.53 101.0 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.32 179.23 4.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.94 51.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.839 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.91 73.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.926 0.393 . . . . 0.0 110.464 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.3 144.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 144.93 24.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.76 132.21 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -102.44 127.93 49.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.304 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.46 135.17 50.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.133 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.95 157.93 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -168.76 146.26 3.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.554 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.98 109.78 19.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.0 168.31 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 14.8 p -93.32 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.683 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.1 t70 -171.55 -167.72 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.766 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.66 -36.41 7.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.66 -30.34 8.61 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.247 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -28.02 32.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.652 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.23 46.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -68.39 -59.91 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.501 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -54.61 -36.13 64.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -72.63 -49.35 32.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 110.634 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.44 -42.33 98.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.94 0.4 . . . . 0.0 109.979 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.85 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.042 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.14 -39.15 79.02 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.661 -179.65 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 34' ' ' ALA . 7.8 tp -76.17 -36.8 31.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -60.41 -72.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.597 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -51.36 -27.84 10.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.923 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.31 -20.29 63.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.384 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -169.98 57.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 111.299 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.1 m -164.69 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p 42.86 42.91 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.769 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.82 111.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.84 173.13 27.94 Favored Glycine 0 C--N 1.329 0.169 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.656 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.4 t -103.96 107.06 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.267 0.556 . . . . 0.0 110.13 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CD1' HG22 ' A' ' 54' ' ' VAL . 6.6 m95 -65.34 119.07 10.28 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.648 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -140.06 164.65 29.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.31 143.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -109.64 132.31 54.26 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.533 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.01 118.24 26.26 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.235 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 164.21 -62.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.274 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.9 mt -124.81 22.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.448 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 7.9 mmtt 57.93 83.85 0.11 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.1 p -134.91 140.73 45.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.064 0.459 . . . . 0.0 111.659 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 8.3 m-85 -118.36 159.73 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 54' ' ' VAL . 98.8 m -146.59 152.85 39.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.424 . . . . 0.0 111.39 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.555 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -135.55 102.71 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.184 179.056 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.39 119.89 33.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.366 -178.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.465 179.745 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.04 101.3 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.2 m-85 -85.12 148.36 26.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -129.0 148.99 51.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 5.1 tp -130.14 117.64 20.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.869 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.463 ' HB ' HG22 ' A' ' 53' ' ' THR . 42.1 mm -97.39 110.08 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -102.4 128.77 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -127.07 103.22 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.65 176.25 5.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.29 0.567 . . . . 0.0 111.085 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -22.44 22.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.57 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.43 110.14 8.09 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.471 . . . . 0.0 111.623 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.19 178.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.246 0.546 . . . . 0.0 111.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -139.25 147.33 41.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.82 139.66 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.58 120.06 40.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.278 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.55 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.33 160.81 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.423 . . . . 0.0 111.475 -179.633 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -168.8 150.58 4.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.614 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -102.84 116.01 31.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 141.38 36.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.195 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -112.56 -167.1 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.21 -35.32 9.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.78 -32.71 11.55 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.136 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -79.74 -28.05 40.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.458 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.86 -41.0 38.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -55.63 -39.38 70.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.95 -44.47 63.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.36 . . . . 0.0 110.244 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 3.1 m-30 -62.72 -43.83 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.082 0.468 . . . . 0.0 109.808 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -34.36 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.008 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -38.59 79.67 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.109 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.423 HG22 ' HA ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -81.76 -35.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 179.755 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -34.8 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.335 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.99 -58.19 5.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.705 0.288 . . . . 0.0 111.475 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.54 18.71 9.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.663 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.42 146.07 10.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.786 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 t -139.91 29.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.319 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -179.2 126.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 171.26 170.11 34.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 11.8 m -106.54 110.98 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.331 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.447 ' CD1' HG21 ' A' ' 54' ' ' VAL . 9.7 m95 -67.3 130.03 41.77 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.491 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 3.9 p -151.21 158.71 44.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.149 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.35 139.04 29.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.966 0.412 . . . . 0.0 111.256 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -106.87 132.58 52.67 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -88.27 119.09 28.35 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.977 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 163.99 -62.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.241 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 pp -122.24 17.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.99 87.24 0.09 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 t -142.88 141.55 31.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 111.891 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m-85 -120.3 161.27 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.463 HG22 ' HB ' ' A' ' 6' ' ' ILE . 100.0 m -146.67 148.6 32.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.613 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.561 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.65 104.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.975 179.041 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 42' ' ' VAL . 43.4 m -109.9 133.12 53.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.67 -178.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.713 179.544 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.413 ' HB ' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.4 p -89.05 123.21 33.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' ' 1' ' ' THR . 57.5 m-85 -109.6 145.65 36.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -133.25 150.66 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.5 tp -129.73 130.8 45.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.093 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.491 ' HB ' HG22 ' A' ' 53' ' ' THR . 34.7 mm -107.31 107.37 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.641 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mt -98.43 127.38 44.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.32 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -127.18 101.11 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.41 179.39 3.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.873 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.04 46.4 1.32 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 179.67 78.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.457 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.89 139.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 149.16 21.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.29 135.52 48.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.775 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.85 125.7 53.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 111.26 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.57 140.2 43.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.227 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 pt -152.05 151.02 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 0.0 111.728 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.79 140.35 2.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.98 121.01 40.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.64 151.48 49.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.15 -46.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.144 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -104.18 -168.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.29 -32.9 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.329 . . . . 0.0 111.115 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.88 -28.09 7.02 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.311 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -78.56 -30.76 47.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.27 -39.22 65.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.796 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.91 -59.7 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.661 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -56.48 -41.2 76.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.14 -51.33 61.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.41 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HA ' HG23 ' A' ' 33' ' ' ILE . 7.5 m-30 -60.98 -42.49 98.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.178 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -30.47 68.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -73.45 -38.31 65.53 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.633 0.254 . . . . 0.0 111.471 -179.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.402 HG23 ' HA ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -79.2 -33.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.942 0.401 . . . . 0.0 111.046 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -33.24 64.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.362 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.71 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.734 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -98.31 -31.88 11.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.92 165.84 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 m -138.69 64.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.7 109.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 171.92 174.86 39.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.533 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 28.1 m -106.02 110.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 0.0 110.631 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.427 ' CD1' HG22 ' A' ' 54' ' ' VAL . 6.7 m95 -70.49 127.75 33.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.296 -179.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -149.36 154.56 39.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.124 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.455 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 2.0 t80 -143.16 141.78 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 111.292 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.7 126.58 50.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -73.78 -12.89 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.474 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.81 -33.41 7.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -160.46 27.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.344 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 51.95 89.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.193 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -160.18 136.3 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.88 161.95 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.521 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.491 HG22 ' HB ' ' A' ' 6' ' ' ILE . 69.9 m -146.66 151.19 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.58 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.57 103.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.131 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 m -108.4 130.3 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.599 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.623 179.638 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 t -101.69 117.35 34.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 62.4 m-85 -102.66 149.06 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.31 149.21 50.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 4.9 tp -130.68 127.95 39.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.136 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 2.4 mp -111.47 124.75 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.629 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mt -111.12 130.98 55.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -126.97 110.12 12.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.52 178.21 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -90.08 52.16 2.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.057 0.456 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.46 -40.6 0.01 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.384 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.36 177.67 10.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.084 0.469 . . . . 0.0 111.078 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.21 153.94 47.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -143.71 141.51 30.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -117.31 126.38 52.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.52 140.85 42.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.164 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -151.93 149.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.07 0.462 . . . . 0.0 111.835 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -168.85 152.67 5.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.583 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -105.61 114.17 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.93 167.84 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.339 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -93.28 20.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.755 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -170.53 -87.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.797 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 171.97 -38.35 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.029 0.442 . . . . 0.0 110.973 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.43 -29.11 7.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.616 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.56 -27.65 37.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.582 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -39.77 59.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.541 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.8 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.494 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -55.35 -38.04 68.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -72.85 -43.82 62.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.037 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 5.6 m-30 -62.5 -41.82 99.09 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.69 -33.14 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.574 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.62 -38.58 70.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.387 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tp -78.49 -34.49 18.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.68 1.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -27.72 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.488 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.18 -17.73 32.0 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -30.25 10.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 111.208 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -150.76 174.3 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.967 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.01 47.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.26 117.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.75 172.83 36.7 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.372 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 10.7 m -102.54 112.12 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.083 0.468 . . . . 0.0 110.558 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CD1' HG23 ' A' ' 54' ' ' VAL . 7.0 m95 -72.24 90.08 1.22 Allowed 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.597 -179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.7 p -106.82 153.46 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.431 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 2.2 t80 -143.34 145.71 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 0.0 111.069 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -120.45 140.68 51.03 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.8 m-20 -87.74 172.45 9.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 3.2 mm-40 85.49 -34.03 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.77 0.669 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.62 -17.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.235 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 2.7 mmtt 62.63 79.57 0.25 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.817 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 98.4 m -148.72 137.93 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.018 0.437 . . . . 0.0 111.696 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.532 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -114.87 159.53 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.444 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.4 m -146.52 148.78 32.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.654 0.264 . . . . 0.0 111.16 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.583 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -126.13 103.27 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.31 0.576 . . . . 0.0 110.293 179.404 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.2 m -108.52 129.62 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.54 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--O 1.256 1.409 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.823 179.698 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.79 107.02 15.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 53.4 m-85 -80.28 149.08 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.774 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -133.44 149.8 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.072 0.463 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 2.4 tp -127.06 131.86 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.832 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.477 ' HB ' HG22 ' A' ' 53' ' ' THR . 44.8 mm -107.29 110.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mt -102.94 120.7 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.949 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -127.02 106.53 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.29 179.07 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -83.65 62.15 6.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -177.86 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.085 0.469 . . . . 0.0 111.453 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.24 158.76 33.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.33 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -110.26 123.0 48.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.02 141.87 42.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.79 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.37 126.93 52.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -109.7 140.18 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.184 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 pt -152.04 154.44 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 111.628 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -168.82 136.7 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.547 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -92.61 109.39 20.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.68 139.23 36.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 m -59.8 -46.45 93.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.339 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 11.3 p-10 -101.54 -168.8 1.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.06 -30.91 7.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.289 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -35.29 14.1 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.3 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -78.67 -27.85 45.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.95 -38.32 45.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.692 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.64 -59.65 3.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.79 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -39.33 71.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.25 -49.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.507 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' HA ' HG22 ' A' ' 33' ' ' ILE . 2.6 m-85 -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.986 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -31.39 67.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -72.09 -38.5 69.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.211 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -79.85 -33.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.09 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -54.74 -32.2 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.51 -24.84 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.84 -35.03 14.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.29 -175.48 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 t -150.18 40.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.2 128.44 0.87 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.218 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.34 172.1 34.12 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.64 107.85 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.484 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.469 ' CD1' HG21 ' A' ' 54' ' ' VAL . 8.5 m95 -69.62 128.69 37.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.401 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 2.2 p -151.14 156.35 40.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.443 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 2.9 t80 -143.39 142.8 31.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.071 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -120.38 142.83 48.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.821 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.1 t0 -86.68 178.52 7.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 1.9 mm-40 85.16 -34.44 0.05 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.5 pt -130.68 -5.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.639 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.41 87.43 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.715 0.293 . . . . 0.0 111.306 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.4 p -155.14 139.18 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.701 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.8 163.26 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.421 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.477 HG22 ' HB ' ' A' ' 6' ' ' ILE . 81.4 m -146.23 151.29 37.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.156 -0.34 . . . . 0.0 111.65 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.569 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.65 103.25 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.375 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.9 m -104.69 125.64 50.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.51 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.601 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.744 0.306 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -140.19 134.09 30.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 26.8 m-85 -122.03 149.96 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -132.71 150.13 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 5.8 tp -131.0 123.78 29.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.977 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HB ' HG21 ' A' ' 53' ' ' THR . 30.9 mm -103.18 112.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -98.89 124.6 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -127.2 101.13 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.94 178.84 4.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -88.34 55.96 3.63 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.13 -49.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.221 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.72 -169.34 2.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.17 139.05 49.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.35 0.595 . . . . 0.0 110.709 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.38 135.4 44.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -114.97 127.03 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.05 133.03 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.3 pt -151.7 148.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 29' ' ' TYR . 2.1 ttpp -168.93 145.19 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.509 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -89.96 128.6 36.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.47 157.27 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -62.51 -49.74 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -119.73 -167.47 1.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.755 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . . . -94.92 -34.03 12.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.065 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.99 -29.93 8.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.395 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -80.59 -28.9 36.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.857 0.361 . . . . 0.0 110.573 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.29 -42.9 24.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.611 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.41 -60.93 2.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.211 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -36.65 65.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.278 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.418 ' CE2' ' HE2' ' A' ' 18' ' ' LYS . 39.8 t80 -75.98 -38.77 57.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.883 0.373 . . . . 0.0 110.263 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 4.0 m-30 -67.11 -43.36 82.67 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -60.53 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.954 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.58 -41.86 91.16 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.279 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.9 tp -74.59 -29.9 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.905 0.384 . . . . 0.0 110.803 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 38' ' ' THR . . . -58.73 -72.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -12.64 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.32 -20.51 47.72 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.507 ' HG3' ' N ' ' A' ' 38' ' ' THR . 2.1 ptpp? -144.3 -38.89 0.29 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.507 ' N ' ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -92.9 176.19 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -173.76 131.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.106 0.479 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.07 123.92 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.499 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.61 173.1 36.85 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.78 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 23.8 t -107.39 107.29 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.117 0.484 . . . . 0.0 110.518 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.452 ' CD1' HG22 ' A' ' 54' ' ' VAL . 6.9 m95 -67.93 112.03 4.71 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.591 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -130.86 160.13 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.201 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.43 147.5 34.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 13.6 mtpt -117.89 133.55 55.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.99 121.5 29.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 163.27 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.385 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.3 mm -124.48 20.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.371 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.89 86.99 0.08 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.554 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.401 ' CG2' ' HB2' ' A' ' 46' ' ' LYS . 3.5 t -140.36 143.73 35.9 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.95 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.9 m-85 -124.69 160.44 28.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.45 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.485 HG21 ' HB ' ' A' ' 6' ' ' ILE . 66.3 m -146.59 153.19 40.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.562 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.6 103.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.347 0.594 . . . . 0.0 110.177 179.236 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.2 p -106.58 128.56 54.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.732 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.973 179.648 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.69 0.281 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 t -101.54 132.13 47.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 31.7 m-85 -118.91 149.52 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -130.45 150.17 51.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.96 0.41 . . . . 0.0 111.186 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 3.8 tp -130.91 133.66 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.228 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.549 ' HB ' HG23 ' A' ' 53' ' ' THR . 2.4 mp -105.06 115.23 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.594 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.6 mt -103.91 127.85 51.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.329 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -122.07 101.27 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.99 179.28 4.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -88.92 46.03 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.002 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -179.73 83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.85 147.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -89.11 136.57 32.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -123.24 144.62 49.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -124.14 125.51 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.5 138.38 45.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.3 pt -151.93 161.73 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.018 0.437 . . . . 0.0 111.67 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.8 166.08 11.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.998 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.56 129.19 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.82 178.98 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -92.28 20.81 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.834 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.45 -165.48 0.33 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.25 -40.67 4.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.531 0.205 . . . . 0.0 111.066 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.52 -29.08 11.02 Favored Glycine 0 CA--C 1.511 -0.216 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.89 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -75.4 -29.93 59.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.484 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.53 -36.6 63.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.4 tt0 -68.3 -74.76 0.12 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.42 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.09 -30.57 1.94 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 9.9 t80 -78.83 -45.55 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 5.8 m-30 -63.36 -40.85 98.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -40.24 89.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.87 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.12 -41.14 92.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.966 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 tp -77.59 -29.41 16.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.802 0.334 . . . . 0.0 110.83 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.38 -64.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -25.17 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.873 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.35 -67.49 0.79 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.83 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -69.41 -30.18 68.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.966 -179.114 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' LYS . 17.6 p -118.6 176.57 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.196 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -166.63 31.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.82 124.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.967 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 169.21 169.57 32.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.925 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.8 t -102.03 107.66 22.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.294 0.569 . . . . 0.0 109.967 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.479 ' CD1' HG23 ' A' ' 54' ' ' VAL . 6.7 m95 -69.44 126.82 30.93 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.719 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 7.3 t -151.6 155.16 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.45 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 1.3 t80 -143.4 147.99 35.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 111.191 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.55 137.84 54.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.632 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 4.8 t0 -88.07 166.91 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.2 tp10 90.94 -33.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.358 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.27 -15.96 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 61.46 80.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -151.5 141.21 21.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.723 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -114.94 163.76 15.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.431 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.549 HG23 ' HB ' ' A' ' 6' ' ' ILE . 62.5 m -146.39 150.94 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.841 0.353 . . . . 0.0 111.551 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.583 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -135.64 100.58 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.206 0.527 . . . . 0.0 110.43 179.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.6 m -94.96 117.61 30.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.684 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.724 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.5 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.06 130.21 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.452 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 24.5 m-85 -120.49 146.63 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -125.51 148.98 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.188 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.7 tp -127.63 131.48 49.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.181 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HB ' HG21 ' A' ' 53' ' ' THR . 3.4 mp -111.68 107.59 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -97.99 123.68 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.25 104.15 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -95.0 179.44 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -47.39 7.87 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.16 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -144.6 66.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 111.65 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . . . 168.4 152.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.27 124.51 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.82 135.49 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.639 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -111.78 117.07 31.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.273 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.49 130.41 55.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.41 HG22 HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.1 152.54 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 111.556 -179.412 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.86 152.81 5.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.562 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -112.45 137.61 50.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.8 177.07 8.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 111.339 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.09 -47.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.844 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.76 -75.17 0.6 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.34 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 3' ' ' TYR . . . -178.45 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.04 -29.52 3.42 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -32.4 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.1 63.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 110.707 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.7 tt0 -64.74 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -47.5 -30.01 3.17 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.484 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.1 t80 -78.04 -46.86 19.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 5.7 m-30 -62.57 -40.89 98.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -60.43 -37.05 79.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.935 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.37 -39.43 93.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.284 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -76.55 -34.39 24.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.387 . . . . 0.0 110.544 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' HG21 ' A' ' 33' ' ' ILE . . . -63.12 -59.41 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.374 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -33.73 64.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.836 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.1 6.15 47.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.425 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.59 -37.34 8.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.143 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -176.27 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.39 0.138 . . . . 0.0 111.219 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t 74.58 63.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.95 118.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.53 175.86 35.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.617 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 28.6 m -107.13 111.08 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.174 0.512 . . . . 0.0 110.534 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.458 ' CD1' HG21 ' A' ' 54' ' ' VAL . 9.4 m95 -66.68 113.57 4.92 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.164 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -134.07 164.58 27.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.43 36.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.026 0.441 . . . . 0.0 111.1 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -115.39 131.56 56.89 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.648 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 12.7 t70 -88.75 121.55 31.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.111 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 2.4 mm-40 155.55 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.466 0.707 . . . . 0.0 110.279 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.9 mp -130.18 16.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 57.1 86.37 0.07 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.9 p -140.03 129.21 23.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.997 0.427 . . . . 0.0 111.719 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.519 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 3.9 m-85 -106.31 158.85 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 54' ' ' VAL . 92.7 m -146.55 151.44 37.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.987 0.422 . . . . 0.0 111.37 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.575 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -133.64 101.73 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.124 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -103.2 129.24 50.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.641 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.673 179.702 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.762 0.315 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 p -114.29 142.41 46.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.499 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.2 m-85 -122.23 149.9 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.616 ' CG ' HG22 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -125.83 151.3 47.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.061 0.458 . . . . 0.0 110.985 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 6' ' ' ILE . 6.5 tp -133.31 129.7 37.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.149 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 5' ' ' LEU . 39.6 mm -103.39 107.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.926 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.506 HD21 HD21 ' A' ' 5' ' ' LEU . 17.7 mt -95.19 123.51 38.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.202 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 101.28 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.922 HD21 ' HB3' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -105.36 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG2' HD12 ' A' ' 9' ' ' LEU . 5.6 pttp -40.84 -53.88 2.79 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.053 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -143.54 73.71 1.4 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.392 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.922 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . 169.02 146.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.047 0.451 . . . . 0.0 111.147 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -136.76 107.27 6.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -118.09 150.59 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.18 128.62 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.46 138.76 45.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.196 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.616 HG22 ' CG ' ' A' ' 4' ' ' LYS . 4.8 pt -145.98 162.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.997 0.427 . . . . 0.0 111.783 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -168.83 140.64 2.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.642 -179.358 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.13 116.1 31.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.88 171.21 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -92.34 20.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.691 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.4 t0 -174.17 -166.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 110.666 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.58 -37.98 7.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.244 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.47 -32.96 10.92 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.566 -0.825 . . . . 0.0 112.227 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -80.79 -27.83 36.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.582 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.48 -41.32 27.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.597 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.06 -58.77 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -55.02 -39.23 68.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 18' ' ' LYS . 32.6 t80 -71.78 -43.28 65.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.14 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-30 -63.28 -43.55 97.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.135 0.493 . . . . 0.0 109.745 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -34.5 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.082 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.66 -38.64 77.17 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.197 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.1 tp -81.43 -36.47 14.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.823 0.344 . . . . 0.0 110.983 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -62.22 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.83 -23.85 64.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.551 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -99.83 -31.95 11.25 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 -177.37 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.954 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -153.56 37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -174.78 135.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.582 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 162.33 172.83 30.27 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.595 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 55' ' ' THR . 5.3 t -101.81 107.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.152 0.501 . . . . 0.0 110.054 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -69.36 118.94 12.88 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.5 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -142.64 165.7 26.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.164 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.31 131.63 22.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.123 0.487 . . . . 0.0 111.349 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -92.92 128.9 38.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.42 113.48 24.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 165.88 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 51' ' ' THR . 1.4 pt -117.68 17.3 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.605 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 61.0 90.55 0.06 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.997 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.582 HG22 ' HB2' ' A' ' 4' ' ' LYS . 80.4 p -149.23 146.16 27.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 0.0 112.017 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 2.4 m-85 -120.61 160.93 22.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.082 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 6' ' ' ILE . 55.4 m -146.68 152.41 38.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 111.576 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.585 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.66 100.64 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.082 179.14 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 p -101.02 124.67 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.584 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.714 179.716 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -94.15 136.13 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 59.4 m-85 -126.58 148.74 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 51' ' ' THR . 6.2 mttm -133.01 149.69 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.0 tp -132.28 128.02 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.372 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 5' ' ' LEU . 36.0 mm -102.01 107.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.476 HD23 HG12 ' A' ' 54' ' ' VAL . 11.5 mt -98.34 119.52 37.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.232 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -124.01 100.64 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 179.34 3.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -82.71 50.37 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.31 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.434 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.16 168.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HE3' HG23 ' A' ' 6' ' ' ILE . 52.7 tttt -117.74 140.57 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.13 143.89 50.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -118.09 137.74 52.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -116.82 138.04 51.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.394 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 pt -152.09 153.08 10.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 111.602 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.89 142.51 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.641 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.77 110.73 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.01 177.21 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.8 t -92.38 20.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.695 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.06 -165.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.695 0.283 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.58 -35.46 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.17 -31.25 11.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.088 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -80.26 -28.01 38.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.477 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.56 -39.08 53.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.674 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.16 -61.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -55.12 -34.54 63.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.45 -43.47 39.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.775 0.321 . . . . 0.0 110.184 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' O ' HG22 ' A' ' 33' ' ' ILE . 6.2 m-30 -63.86 -42.09 97.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -37.43 80.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.03 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.29 -37.86 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.249 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.3 tp -79.81 -31.61 13.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.36 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.746 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -35.72 67.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.7 62.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -85.13 -33.54 22.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -172.21 -176.59 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.526 ' O ' HG22 ' A' ' 39' ' ' VAL . 11.0 p -151.18 55.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -165.82 117.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.784 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 166.64 172.15 33.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.62 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 42' ' ' VAL . 30.4 m -102.81 110.95 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.214 0.53 . . . . 0.0 110.347 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -71.81 105.97 3.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.486 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 17.0 p -123.0 155.51 36.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.011 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.31 143.51 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.638 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -114.93 144.71 43.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.264 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -95.59 -9.1 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 49' ' ' ILE . 2.4 mp0 -57.75 -33.83 68.89 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.339 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -158.32 32.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 4.8 mmtt 48.87 88.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.22 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.2 m -153.57 133.27 13.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -110.21 161.42 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.555 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' ILE . 64.0 m -146.71 152.29 38.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.418 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.9 101.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.071 179.229 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.43 ' HB ' HG22 ' A' ' 42' ' ' VAL . 1.1 m -106.16 127.44 53.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.517 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.942 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.445 HG23 ' CB ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -129.73 119.82 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.441 ' CE2' ' HD3' ' A' ' 50' ' ' LYS . 41.2 m-85 -115.95 149.42 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.813 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -133.73 149.29 51.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 111.161 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.3 tp -124.95 121.92 35.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.154 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.7 mp -100.65 115.69 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.14 125.7 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -126.08 101.3 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 12' ' ' ALA . 1.4 mt -106.18 179.0 4.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -55.77 -46.31 77.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.261 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.15 58.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.983 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.779 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -177.23 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.103 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -97.8 120.16 37.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.722 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.52 142.19 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -103.37 130.84 50.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.58 140.79 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.485 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.49 HG22 ' HG2' ' A' ' 4' ' ' LYS . 10.1 pt -151.94 147.94 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 0.0 111.589 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.85 140.4 2.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.543 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' CB ' HG23 ' A' ' 2' ' ' THR . 0.4 OUTLIER -104.47 120.11 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.5 171.57 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.9 p -93.33 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.6 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -169.22 -166.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.658 0.266 . . . . 0.0 110.817 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.42 -38.73 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.25 -28.52 8.85 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.131 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -80.76 -29.29 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.486 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.06 -39.77 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.24 -60.28 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.437 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -54.96 -36.69 65.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -73.04 -48.39 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.534 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.52 ' O ' HG22 ' A' ' 33' ' ' ILE . 7.0 m-30 -61.6 -42.64 99.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.877 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -34.27 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -68.42 -37.86 80.68 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.285 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.8 tp -80.16 -36.7 16.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.95 -69.06 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -33.44 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -59.97 -24.64 64.58 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.372 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -153.01 43.76 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -165.33 117.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.39 27.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.325 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 179.35 119.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.592 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . -178.75 165.34 34.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.645 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 55' ' ' THR . 10.8 t -108.28 105.88 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.243 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -64.91 127.3 30.99 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.524 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.415 ' CG2' ' HB ' ' A' ' 53' ' ' THR . 8.3 t -151.45 167.5 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.392 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.29 139.3 30.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.046 0.45 . . . . 0.0 111.265 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.55 135.16 44.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.14 118.11 28.61 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.37 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.169 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.7 mt -124.94 24.65 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 3' ' ' TYR . 1.5 mmpt? 58.57 88.9 0.06 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.621 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.813 HG22 ' HB2' ' A' ' 4' ' ' LYS . 17.5 p -141.2 147.02 37.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.195 0.522 . . . . 0.0 112.212 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 5.7 m-85 -123.23 156.9 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.929 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 6' ' ' ILE . 86.8 m -146.37 153.23 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.419 . . . . 0.0 111.603 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.592 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -135.25 106.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.196 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.863 ' O ' HG23 ' A' ' 42' ' ' VAL . 56.6 m -109.99 127.79 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.439 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.786 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.751 0.31 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.718 HG22 ' CG ' ' A' ' 19' ' ' GLU . 17.3 p -102.22 115.07 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -103.64 141.87 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HG2' HG22 ' A' ' 17' ' ' ILE . 7.9 mtmm -123.2 151.34 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.137 0.494 . . . . 0.0 111.104 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.786 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 5.4 tp -130.16 124.24 32.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.072 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 5' ' ' LEU . 43.4 mm -103.27 109.23 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.988 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.628 HD23 HG12 ' A' ' 54' ' ' VAL . 3.5 mt -100.54 125.97 46.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.197 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.662 ' HB3' HG23 ' A' ' 55' ' ' THR . 3.4 t-20 -127.25 101.39 6.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.48 178.9 4.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.031 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 66.81 4.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.71 -46.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.68 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -91.95 124.72 36.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 110.697 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.97 136.53 53.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -111.11 123.42 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.422 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.786 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.47 135.9 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.318 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.608 HG22 ' HG2' ' A' ' 4' ' ' LYS . 5.2 pt -146.06 155.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.057 0.456 . . . . 0.0 111.543 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -168.75 134.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.584 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.718 ' CG ' HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -108.13 114.32 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.9 168.44 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.8 t -92.46 20.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -159.39 -165.43 1.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.761 0.315 . . . . 0.0 110.772 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.13 -41.18 2.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.09 -31.08 10.77 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.904 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -29.27 39.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.365 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.386 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.07 -61.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.521 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.23 -36.3 63.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -71.62 -51.8 21.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.2 m-85 -60.27 -42.85 96.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.993 0.425 . . . . 0.0 109.921 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -57.58 -32.34 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.006 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.43 -38.62 71.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.9 tp -81.75 -35.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 110.757 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -63.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -37.28 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.32 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.1 61.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.697 0.284 . . . . 0.0 111.632 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -100.26 -28.79 12.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 179.15 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 39' ' ' VAL . 18.4 t -149.09 37.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -176.42 134.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.574 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 163.58 169.52 27.18 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.579 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.9 m -103.23 108.87 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.229 0.537 . . . . 0.0 110.367 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -70.81 126.86 30.75 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.465 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 22.6 p -147.57 147.21 29.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.207 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.432 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 17.8 t80 -143.07 138.62 30.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.114 0.483 . . . . 0.0 111.565 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.428 ' CD ' ' HB3' ' A' ' 48' ' ' GLU . 4.0 ttmt -120.72 124.96 46.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.169 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -25.06 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB3' ' CD ' ' A' ' 46' ' ' LYS . 18.4 tp10 -52.93 -34.56 55.92 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.084 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.555 ' O ' HG22 ' A' ' 49' ' ' ILE . 20.6 mt -128.78 0.86 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.54 69.18 0.75 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.015 0.436 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 4.7 p -152.61 142.47 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 111.461 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -106.03 162.96 13.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.596 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 6' ' ' ILE . 86.9 m -146.62 148.13 31.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.799 0.333 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.58 102.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.252 0.548 . . . . 0.0 110.428 179.352 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.662 HG23 ' HB3' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -103.72 125.32 50.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.526 -179.155 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.698 179.802 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.796 0.331 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 19' ' ' GLU . 7.1 m -140.07 113.93 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.1 m-85 -104.78 148.75 26.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.88 149.03 51.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.776 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.5 tp -132.89 129.54 38.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.054 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.8 mp -104.6 111.72 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.737 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.85 127.42 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -126.9 101.16 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.786 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.697 ' HB3' HG21 ' A' ' 38' ' ' THR . 0.8 OUTLIER -114.74 179.27 4.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -82.15 54.06 2.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.663 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 171.85 86.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.231 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.78 171.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -117.51 136.36 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.42 136.8 54.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.734 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -111.9 127.37 55.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.237 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.58 132.25 54.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.686 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.12 152.21 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.41 . . . . 0.0 111.517 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 8.0 tttp -168.94 144.3 3.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.698 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.487 ' HG2' HG23 ' A' ' 2' ' ' THR . 20.9 mt-10 -96.79 121.98 39.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.9 142.95 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.3 m -59.77 -46.55 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.49 ' N ' HG23 ' A' ' 21' ' ' VAL . 54.8 p-10 -112.68 -167.35 1.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.764 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.84 -34.53 9.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.738 0.304 . . . . 0.0 111.243 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -33.36 10.84 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.174 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -80.92 -28.63 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.86 -41.57 43.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.45 -59.64 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -55.38 -37.14 67.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 14.6 t80 -72.89 -49.37 30.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.5 m-85 -61.11 -43.85 98.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -57.92 -35.21 70.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -66.55 -39.89 88.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.164 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.8 tp -78.42 -37.39 21.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.839 0.352 . . . . 0.0 110.804 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.96 -63.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.848 ' O ' HG22 ' A' ' 39' ' ' VAL . 1.6 m120 -55.08 -28.38 51.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 -0.14 57.44 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -37.59 7.22 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.666 0.246 . . . . 0.0 111.666 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.697 HG21 ' HB3' ' A' ' 9' ' ' LEU . 14.6 p -140.15 -42.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.608 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 35' ' ' ASN . 5.6 t 78.7 31.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.872 0.367 . . . . 0.0 111.0 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.66 146.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.829 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.449 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 157.07 178.07 30.79 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.73 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 55' ' ' THR . 6.5 t -107.51 106.45 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.022 0.439 . . . . 0.0 110.208 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -65.07 129.15 38.66 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.501 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.37 154.24 36.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.263 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.25 146.85 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.07 0.462 . . . . 0.0 111.17 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 8.1 ttpt -119.71 136.89 54.24 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.741 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 3.3 t0 -87.79 123.48 32.63 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.562 ' HG2' HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER 164.12 -61.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.674 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.4 mt -128.49 22.3 2.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.052 0.454 . . . . 0.0 110.077 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.3 84.39 0.11 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.41 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 3.0 t -134.35 143.88 47.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.104 0.478 . . . . 0.0 111.941 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -129.57 158.49 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.264 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 6' ' ' ILE . 94.2 m -146.54 149.54 33.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.561 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.64 104.26 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.087 179.187 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 42' ' ' VAL . 33.5 m -102.02 125.86 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.583 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.745 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.834 0.35 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.464 HG22 ' HG3' ' A' ' 19' ' ' GLU . 39.4 p -97.45 88.39 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 61.4 m-85 -74.18 147.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HG2' HG22 ' A' ' 17' ' ' ILE . 9.8 mttp -126.31 149.68 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.599 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.8 tp -133.13 120.45 21.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.8 mp -96.92 107.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 54' ' ' VAL . 4.4 mt -101.46 131.01 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.072 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.12 100.99 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.491 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.92 167.58 10.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.13 -25.01 29.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.428 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.37 90.92 3.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.791 0.329 . . . . 0.0 111.074 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 54.57 173.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.267 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -111.27 134.11 53.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.675 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.52 144.71 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -117.8 132.23 56.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.67 139.82 44.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.404 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.437 HG22 ' HG2' ' A' ' 4' ' ' LYS . 6.1 pt -152.1 150.12 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.578 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -168.89 141.48 2.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.673 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HG3' HG22 ' A' ' 2' ' ' THR . 7.5 tt0 -102.76 117.7 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.74 177.11 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -92.3 20.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.649 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -178.04 -165.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.285 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.47 -37.82 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.37 -29.65 10.92 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.142 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -28.44 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.341 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.65 49.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.588 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.77 -58.9 4.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -56.24 -38.16 70.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.826 0.346 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.628 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.9 m-30 -61.33 -43.26 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -36.34 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.061 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.99 -41.31 95.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.688 0.28 . . . . 0.0 111.258 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.5 tp -74.45 -29.99 25.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -68.39 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.736 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -20.36 37.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.456 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.54 -23.96 29.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.56 0.219 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.612 ' O ' HG23 ' A' ' 38' ' ' THR . 0.7 OUTLIER -102.61 -31.93 10.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 120.746 0.308 . . . . 0.0 111.333 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -165.94 -177.3 4.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.809 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.6 p -153.52 63.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.252 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.71 123.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 164.74 172.5 32.28 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.682 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 55' ' ' THR . 7.7 t -104.51 107.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 110.415 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -69.88 128.02 34.92 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.482 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 7.2 t -151.51 159.58 44.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.1 t80 -143.26 143.0 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.11 0.481 . . . . 0.0 111.459 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -120.64 133.46 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.45 -4.54 51.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.685 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -51.27 -35.32 36.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.096 0.474 . . . . 0.0 111.356 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -162.85 28.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.16 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 56.54 85.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.039 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -157.22 138.94 14.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 111.417 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.74 164.83 11.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.305 179.621 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 6' ' ' ILE . 67.7 m -146.56 150.7 36.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.51 103.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.294 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 m -103.13 125.45 49.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.38 -178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.585 179.751 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.93 0.395 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -95.53 131.19 41.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 28.5 m-85 -116.3 149.17 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -130.27 149.95 51.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.782 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.837 HD21 HD21 ' A' ' 7' ' ' LEU . 5.9 tp -132.98 134.05 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.3 mp -110.13 108.52 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.661 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.847 HD23 HG12 ' A' ' 54' ' ' VAL . 11.7 mt -103.18 131.08 50.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.237 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -127.18 105.42 8.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.16 178.93 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -78.63 63.5 3.44 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -178.26 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.47 -169.55 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 124.75 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 127.37 55.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.7 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -100.18 126.52 46.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 111.035 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.48 131.08 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.614 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.691 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -138.84 150.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.385 -179.678 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -168.82 144.28 3.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.763 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.07 125.94 40.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.52 161.64 37.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 22' ' ' ASP . 30.8 m -59.82 -46.39 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.31 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' N ' HG23 ' A' ' 21' ' ' VAL . 11.9 m-20 -131.52 -165.02 1.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.75 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.63 -34.51 18.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.238 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.19 10.81 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.186 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -79.68 -29.34 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.48 -42.97 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.51 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.82 -54.42 39.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.97 75.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.303 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.53 -45.29 46.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.861 0.363 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.641 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.2 m-30 -61.47 -43.12 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 13.9 tttt -58.85 -37.43 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.913 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -62.97 -41.13 99.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.115 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -76.15 -28.37 18.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.9 0.381 . . . . 0.0 111.005 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.54 -71.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 7.1 p30 -58.72 -20.67 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.761 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.73 -67.68 0.74 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.871 0.367 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' HD2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.9 -25.53 64.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.184 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -134.76 172.12 13.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -148.79 31.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.302 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.7 142.42 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.578 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 162.37 171.74 28.92 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 55' ' ' THR . 11.5 t -105.37 107.64 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.093 0.473 . . . . 0.0 110.329 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.13 129.2 39.0 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.531 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.1 p -151.22 157.69 42.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.195 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.43 148.63 36.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 111.24 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 9.4 ttpt -117.9 132.13 56.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.581 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 8.7 t70 -88.6 123.15 32.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.0 mm-40 154.77 -51.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.1 pp -128.66 15.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.843 0.354 . . . . 0.0 110.504 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 8.2 mmtt 57.86 82.7 0.12 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 2.3 t -138.41 138.54 38.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 111.71 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -119.51 161.45 20.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.343 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 6' ' ' ILE . 91.4 m -146.55 149.77 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 111.487 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.847 HG12 HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -135.72 103.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.118 179.017 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -103.85 125.81 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.495 -178.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.692 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.6 105.58 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 57.4 m-85 -102.6 148.93 24.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -136.5 150.15 48.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 0.0 111.053 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.6 tp -126.5 127.93 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.002 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.738 ' N ' HD12 ' A' ' 5' ' ' LEU . 44.5 mm -104.17 112.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.575 HD22 ' HD2' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -99.48 130.96 45.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.016 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -127.21 101.53 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.717 HD21 ' HB ' ' A' ' 38' ' ' THR . 1.3 mt -113.62 157.98 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -39.33 70.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -61.59 2.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.78 -175.46 5.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -113.91 139.28 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.7 144.28 51.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -109.83 123.52 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.98 0.419 . . . . 0.0 111.368 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.56 133.25 53.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.6 157.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.024 0.44 . . . . 0.0 111.528 -179.468 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.81 144.11 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.6 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -110.54 114.89 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 161.37 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.28 20.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.682 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -162.6 -165.83 1.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.729 0.3 . . . . 0.0 110.684 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.25 -38.3 3.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.05 -30.81 10.19 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.099 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -81.37 -27.95 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.6 49.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.995 0.426 . . . . 0.0 110.639 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.05 -59.95 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.457 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -54.95 -37.25 66.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -71.95 -52.33 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.544 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.0 m-85 -59.94 -42.24 93.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.884 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -40.28 79.2 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.27 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.2 tp -75.9 -37.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.869 0.366 . . . . 0.0 110.532 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.83 -73.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.476 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.871 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -51.37 -26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.63 7.28 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.762 ' HG3' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -147.59 15.93 1.12 Allowed 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.731 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.762 HG22 ' HG3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER 176.61 -76.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 111.588 179.227 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.871 HG22 ' HA ' ' A' ' 35' ' ' ASN . 3.8 t 79.86 33.7 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -164.43 128.24 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 156.05 -179.7 31.76 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 55' ' ' THR . 10.5 t -104.51 107.65 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.276 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -68.52 129.66 40.56 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.597 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.492 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.28 147.86 27.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.103 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 4.0 t80 -143.12 139.97 30.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 111.47 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -120.44 118.66 30.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.377 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -17.8 62.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.423 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.92 -29.79 57.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.707 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.46 HD12 ' OG1' ' A' ' 51' ' ' THR . 1.4 pt -145.9 18.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 47.04 78.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.901 0.382 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 4' ' ' LYS . 92.8 m -155.26 136.15 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.596 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -108.93 159.66 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.364 179.481 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.2 m -146.53 150.11 34.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.247 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.573 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.46 103.78 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.213 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.1 p -100.71 123.92 45.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.806 179.725 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -126.83 133.26 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 27.9 m-85 -127.16 145.53 50.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HA ' HG22 ' A' ' 17' ' ' ILE . 4.9 mttm -130.51 150.46 51.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.71 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.4 tp -132.06 129.09 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.152 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 5' ' ' LEU . 35.8 mm -102.45 107.52 22.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 54' ' ' VAL . 7.8 mt -96.02 116.82 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.076 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -113.28 101.25 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.531 ' CD2' HG23 ' A' ' 38' ' ' THR . 1.4 mp -101.08 168.59 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.974 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -21.15 19.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.632 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -142.67 115.17 8.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.717 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 11' ' ' GLN . . . 72.28 154.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.357 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -126.54 137.55 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.3 162.68 24.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -129.8 135.12 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.77 132.11 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.692 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.64 157.07 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.028 0.442 . . . . 0.0 111.724 -179.428 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.82 144.43 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.625 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.52 117.54 32.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.79 147.94 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -59.78 -35.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.533 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 2.8 p30 -121.43 -167.63 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.693 0.282 . . . . 0.0 110.742 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.24 -30.97 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.98 -39.72 19.07 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.156 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -27.17 55.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.86 -36.89 49.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.56 -60.25 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.541 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -56.79 -42.34 79.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.27 -42.44 93.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.519 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.3 m-30 -65.43 -42.18 92.74 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.69 81.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.23 -38.95 92.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.356 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.9 tp -80.07 -33.48 14.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.03 -62.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.643 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -55.74 -35.11 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -23.88 62.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.467 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.26 -1.73 15.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.582 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.531 HG23 ' CD2' ' A' ' 9' ' ' LEU . 2.9 m -163.77 168.56 19.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 39' ' ' VAL . 16.2 t -148.64 37.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.13 129.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.496 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.54 169.08 32.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.45 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 55' ' ' THR . 10.9 m -104.39 109.97 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.162 0.506 . . . . 0.0 110.246 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -69.33 127.64 33.76 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.384 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 70.4 p -151.35 158.69 44.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.38 146.47 33.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.022 0.439 . . . . 0.0 111.174 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.02 132.23 55.47 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.8 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -89.52 115.61 27.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 163.84 -62.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.004 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.524 ' O ' HG22 ' A' ' 49' ' ' ILE . 13.5 mt -118.28 16.74 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.55 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.98 88.21 0.07 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 27.1 m -143.1 144.34 32.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.186 0.517 . . . . 0.0 112.184 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -127.83 156.93 41.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.846 179.296 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 6' ' ' ILE . 57.8 m -146.46 150.97 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.187 0.518 . . . . 0.0 111.725 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.563 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.75 103.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.012 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.531 ' O ' HG22 ' A' ' 42' ' ' VAL . 38.9 m -106.21 129.25 54.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.833 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 29.3 tt0 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.699 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -119.6 125.91 49.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.3 m-85 -128.48 141.89 51.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 150.34 52.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.762 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.9 tp -129.78 131.5 46.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.762 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.8 mp -110.14 107.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.796 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.717 HD21 HD21 ' A' ' 5' ' ' LEU . 1.2 mt -94.67 128.09 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.2 101.4 6.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.96 179.19 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -81.81 61.02 4.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.976 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.84 -48.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.83 -167.62 2.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 146.34 40.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.71 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -132.31 134.07 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.742 179.839 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -104.49 124.35 49.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.349 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.56 132.27 54.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.303 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -135.72 151.18 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.539 -179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.483 ' NZ ' HG22 ' A' ' 25' ' ' THR . 1.3 tttp -168.84 148.21 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.635 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.05 118.51 36.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.73 160.57 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.16 20.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.719 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.41 -166.77 1.59 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.68 0.276 . . . . 0.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.99 -39.73 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 -31.65 9.82 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.037 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.483 HG22 ' NZ ' ' A' ' 18' ' ' LYS . 23.3 m -82.44 -28.26 31.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.427 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.06 28.26 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.49 -58.49 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -40.47 69.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.51 -50.04 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.167 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 m-85 -61.21 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.936 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -57.89 -32.81 68.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.143 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.19 -38.66 75.39 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.146 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.1 tp -81.03 -32.61 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -61.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.669 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -34.78 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.65 -22.31 56.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 -33.23 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 0.0 111.23 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -147.02 173.85 12.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.5 p -140.0 33.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.44 132.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.483 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 170.78 174.3 38.59 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 55' ' ' THR . 2.7 t -103.13 105.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 0.0 110.306 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -70.33 97.94 1.32 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.491 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 47.6 p -116.65 158.64 23.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.358 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.33 146.37 33.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 0.1 OUTLIER -116.99 137.25 52.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.819 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.32 121.48 31.64 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.968 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 164.34 -62.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.249 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 49' ' ' ILE . 21.8 mt -126.31 19.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.414 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.94 89.9 0.08 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.426 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 14.5 t -141.62 143.56 33.72 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.354 -0.538 . . . . 0.0 112.167 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -128.11 157.34 41.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.229 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.9 m -146.41 150.63 36.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.57 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -130.53 102.91 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.375 0.607 . . . . 0.0 110.259 179.229 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.795 ' O ' HG23 ' A' ' 42' ' ' VAL . 6.8 m -100.18 124.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.358 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.665 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.841 0.353 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.748 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -97.32 112.46 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 62.9 m-85 -100.81 148.63 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.508 ' HB2' HG23 ' A' ' 51' ' ' THR . 10.9 mttp -137.33 150.48 47.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.965 0.412 . . . . 0.0 111.221 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.0 tp -129.61 118.1 21.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.947 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 5' ' ' LEU . 35.1 mm -92.86 107.48 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.424 HD21 HD21 ' A' ' 5' ' ' LEU . 53.3 mt -91.98 125.93 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.403 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.21 100.89 6.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -114.47 179.48 3.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.974 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.48 17.74 2.54 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.494 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -149.48 80.36 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 11' ' ' GLN . . . 68.31 146.95 0.05 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.64 150.62 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.9 140.23 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -113.48 125.84 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.59 132.06 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.49 153.3 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 111.503 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HE2' ' CD2' ' A' ' 29' ' ' TYR . 2.2 ttpp -168.89 144.16 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.629 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.748 ' HG3' HG22 ' A' ' 2' ' ' THR . 8.4 mp0 -96.52 122.59 39.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.85 147.71 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 22' ' ' ASP . 20.2 m -59.87 -47.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.345 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 21' ' ' VAL . 13.8 p-10 -114.49 -167.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.82 -31.31 11.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.07 -30.92 10.42 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -29.24 44.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.557 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.16 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -64.52 -59.62 4.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.455 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.88 -40.65 73.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CD2' ' HE2' ' A' ' 18' ' ' LYS . 31.6 t80 -70.94 -46.07 63.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.351 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 33' ' ' ILE . 9.0 m-30 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 109.844 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -60.51 -30.7 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.397 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.27 -38.09 63.52 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -74.76 -40.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 110.979 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.16 -57.13 13.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.683 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.949 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -54.74 -34.5 62.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 5.77 49.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.706 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -40.71 5.64 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.465 0.174 . . . . 0.0 111.373 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.502 ' C ' HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -168.53 -50.11 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.259 0.552 . . . . 0.0 111.602 -179.8 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 35' ' ' ASN . 3.6 t 77.9 63.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.057 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.06 121.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.428 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 157.43 -178.71 33.65 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.726 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 55' ' ' THR . 11.5 t -104.59 108.83 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.394 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -69.11 108.75 3.71 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 81.8 p -126.88 154.49 44.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.14 144.05 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.321 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 140.19 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.524 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.46 -3.78 58.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.494 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.49 -35.14 52.27 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.605 0.241 . . . . 0.0 111.121 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -166.99 32.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.246 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 7.6 mmtp 56.41 83.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.389 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 4' ' ' LYS . 92.6 m -147.59 134.05 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.345 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -111.26 159.64 17.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.514 179.791 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.442 HG23 ' HB ' ' A' ' 6' ' ' ILE . 92.5 m -146.54 154.24 41.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.993 0.425 . . . . 0.0 110.987 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.586 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.72 101.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 0.0 110.167 179.172 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 42' ' ' VAL . 57.2 m -100.51 124.37 45.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.475 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.808 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.877 HG23 ' HG2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -86.36 101.32 12.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 57.1 m-85 -80.58 149.03 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.721 ' HG2' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -127.42 151.24 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 111.156 -179.732 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 7' ' ' LEU . 6.6 tp -138.16 117.65 12.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.001 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 53' ' ' THR . 36.9 mm -98.91 114.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 5' ' ' LEU . 4.9 mt -105.32 125.64 51.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.692 ' HB3' HG23 ' A' ' 55' ' ' THR . 6.0 t-20 -118.45 116.49 26.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.794 ' CD2' HG23 ' A' ' 38' ' ' THR . 0.8 OUTLIER -114.19 178.98 4.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -93.97 47.1 1.2 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.66 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 -169.92 3.12 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.57 127.4 29.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -111.26 136.7 49.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.763 179.789 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -109.24 119.82 40.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.49 132.06 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.307 179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.721 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -143.31 161.09 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.655 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' CD ' ' CG ' ' A' ' 29' ' ' TYR . 2.7 tttp -168.79 148.73 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.877 ' HG2' HG23 ' A' ' 2' ' ' THR . 4.2 mt-10 -111.35 111.92 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.07 149.75 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.6 m -59.9 -46.57 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.9 p30 -106.54 -167.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.782 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.66 -33.38 9.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.83 -31.09 9.71 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.229 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -80.2 -29.46 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.541 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -76.77 -42.17 41.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -58.44 6.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.398 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -40.91 72.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.452 ' CG ' ' CD ' ' A' ' 18' ' ' LYS . 21.6 t80 -69.98 -45.2 67.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.307 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 3.0 m-30 -62.37 -43.76 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.012 0.434 . . . . 0.0 109.958 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -30.93 66.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.37 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.6 -38.37 62.61 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.657 0.265 . . . . 0.0 111.481 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.6 tp -79.21 -39.24 20.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.883 0.373 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.71 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.652 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -37.62 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.83 59.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.672 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 10.06 13.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.542 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.794 HG23 ' CD2' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -165.88 173.32 10.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.041 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' H ' HG22 ' A' ' 38' ' ' THR . 17.3 m -154.4 25.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.64 133.64 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.64 172.01 35.81 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 42' ' ' VAL . 13.4 p -108.81 109.44 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 0.0 110.331 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -67.19 127.1 31.35 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.487 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -146.3 159.84 42.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.959 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.0 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.44 . . . . 0.0 111.236 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 3.0 ttpp -120.67 137.85 54.24 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.688 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.16 125.19 33.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.321 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 163.17 -61.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.381 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.24 23.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.258 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.78 84.53 0.13 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.674 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 2.7 t -133.38 140.64 47.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.97 0.414 . . . . 0.0 111.707 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -123.85 162.12 23.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.499 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 6' ' ' ILE . 65.3 m -146.59 151.34 37.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 111.347 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.55 105.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.297 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.692 HG23 ' HB3' ' A' ' 8' ' ' ASN . 2.2 m -109.47 129.27 55.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.591 -179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.718 179.645 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 p -131.19 106.41 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.489 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 20.1 m-85 -102.04 149.1 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.749 ' HG2' HG22 ' A' ' 17' ' ' ILE . 9.4 mttp -129.19 151.34 49.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.188 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.894 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 1.9 tp -130.98 118.63 20.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.871 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.7 mp -100.28 121.35 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.704 ' CD2' HD11 ' A' ' 5' ' ' LEU . 13.6 mt -112.14 130.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.871 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.769 ' C ' HD13 ' A' ' 9' ' ' LEU . 59.5 t30 -121.53 101.0 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.769 HD13 ' C ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -114.32 179.23 4.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.798 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.94 51.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.839 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.91 73.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.926 0.393 . . . . 0.0 110.464 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.3 144.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 144.93 24.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.76 132.21 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -102.44 127.93 49.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.304 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.894 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.46 135.17 50.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.133 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.749 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -138.95 157.93 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -168.76 146.26 3.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.554 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.98 109.78 19.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.0 168.31 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.8 p -93.32 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.683 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.1 t70 -171.55 -167.72 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.766 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.66 -36.41 7.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.66 -30.34 8.61 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.247 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -28.02 32.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.652 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.23 46.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -68.39 -59.91 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.501 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -54.61 -36.13 64.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -72.63 -49.35 32.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 110.634 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.2 m-85 -61.44 -42.33 98.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.94 0.4 . . . . 0.0 109.979 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.85 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.042 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -69.14 -39.15 79.02 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.661 -179.65 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.8 tp -76.17 -36.8 31.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -72.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.597 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -51.36 -27.84 10.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.923 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -70.31 -20.29 63.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.384 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -169.98 57.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 111.299 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' HG12 ' A' ' 39' ' ' VAL . 95.1 m -164.69 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.608 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.3 p 42.86 42.91 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.769 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.82 111.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.658 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 159.84 173.13 27.94 Favored Glycine 0 C--N 1.329 0.169 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.656 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 55' ' ' THR . 20.4 t -103.96 107.06 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.267 0.556 . . . . 0.0 110.13 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -65.34 119.07 10.28 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.648 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -140.06 164.65 29.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.31 143.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -109.64 132.31 54.26 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.533 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.01 118.24 26.26 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.235 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 164.21 -62.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.274 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.516 ' O ' HG22 ' A' ' 49' ' ' ILE . 15.9 mt -124.81 22.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.448 179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 7.9 mmtt 57.93 83.85 0.11 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.708 HG22 ' HB2' ' A' ' 4' ' ' LYS . 66.1 p -134.91 140.73 45.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.064 0.459 . . . . 0.0 111.659 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 8.3 m-85 -118.36 159.73 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.8 m -146.59 152.85 39.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.424 . . . . 0.0 111.39 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -135.55 102.71 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.184 179.056 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -94.39 119.89 33.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.366 -178.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.465 179.745 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.734 HG22 ' HG2' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -130.04 101.3 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.466 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.2 m-85 -85.12 148.36 26.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -129.0 148.99 51.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 7' ' ' LEU . 5.1 tp -130.14 117.64 20.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.869 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 53' ' ' THR . 42.1 mm -97.39 110.08 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 5' ' ' LEU . 1.5 mt -102.4 128.77 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.461 ' HB2' HG23 ' A' ' 55' ' ' THR . 29.6 m-20 -127.07 103.22 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.65 176.25 5.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.29 0.567 . . . . 0.0 111.085 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -22.44 22.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.57 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.43 110.14 8.09 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.471 . . . . 0.0 111.623 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.19 178.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.246 0.546 . . . . 0.0 111.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -139.25 147.33 41.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.82 139.66 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.58 120.06 40.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.278 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.55 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.692 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.33 160.81 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.423 . . . . 0.0 111.475 -179.633 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -168.8 150.58 4.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.614 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.734 ' HG2' HG22 ' A' ' 2' ' ' THR . 15.9 mt-10 -102.84 116.01 31.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 141.38 36.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.195 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -112.56 -167.1 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.21 -35.32 9.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.78 -32.71 11.55 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.136 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -79.74 -28.05 40.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.458 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -77.86 -41.0 38.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -55.63 -39.38 70.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.95 -44.47 63.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.36 . . . . 0.0 110.244 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.1 m-30 -62.72 -43.83 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.082 0.468 . . . . 0.0 109.808 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -34.36 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.008 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -38.59 79.67 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.109 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -81.76 -35.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 179.755 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -57.69 -34.8 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.335 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -66.99 -58.19 5.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.705 0.288 . . . . 0.0 111.475 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.54 18.71 9.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.663 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.42 146.07 10.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.786 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 39' ' ' VAL . 14.6 t -139.91 29.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.319 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -179.2 126.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.45 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 171.26 170.11 34.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.507 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 55' ' ' THR . 11.8 m -106.54 110.98 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.331 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -67.3 130.03 41.77 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.491 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 3.9 p -151.21 158.71 44.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.149 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.35 139.04 29.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.966 0.412 . . . . 0.0 111.256 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HB2' HG23 ' A' ' 51' ' ' THR . 2.1 mtmm -106.87 132.58 52.67 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -88.27 119.09 28.35 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.977 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 163.99 -62.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.241 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 pp -122.24 17.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.99 87.24 0.09 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.443 HG23 ' HB2' ' A' ' 46' ' ' LYS . 1.6 t -142.88 141.55 31.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 111.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m-85 -120.3 161.27 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 6' ' ' ILE . 100.0 m -146.67 148.6 32.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.613 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.65 104.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.975 179.041 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.4 m -109.9 133.12 53.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.67 -178.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.713 179.544 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.435 ' HB ' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 19' ' ' GLU . 64.4 p -89.05 123.21 33.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.435 ' CE1' ' HB ' ' A' ' 1' ' ' THR . 57.5 m-85 -109.6 145.65 36.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -133.25 150.66 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 6' ' ' ILE . 1.5 tp -129.73 130.8 45.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.093 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.879 ' N ' HD12 ' A' ' 5' ' ' LEU . 34.7 mm -107.31 107.37 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.641 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 5' ' ' LEU . 7.1 mt -98.43 127.38 44.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.32 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -127.18 101.11 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 11' ' ' GLN . 0.7 OUTLIER -114.41 179.39 3.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.873 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.04 46.4 1.32 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' N ' HD12 ' A' ' 9' ' ' LEU . 11.9 tt0 179.67 78.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.457 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.89 139.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 149.16 21.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.29 135.52 48.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.775 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.85 125.7 53.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 111.26 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.57 140.2 43.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.227 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 pt -152.05 151.02 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 0.0 111.728 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.79 140.35 2.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HB3' HG22 ' A' ' 2' ' ' THR . 9.6 pt-20 -99.98 121.01 40.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.64 151.48 49.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.15 -46.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.144 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -104.18 -168.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.29 -32.9 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.329 . . . . 0.0 111.115 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.88 -28.09 7.02 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.311 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -78.56 -30.76 47.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.27 -39.22 65.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.796 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.91 -59.7 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.661 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -56.48 -41.2 76.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.14 -51.33 61.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.41 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.46 ' O ' HG22 ' A' ' 33' ' ' ILE . 7.5 m-30 -60.98 -42.49 98.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.178 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -30.47 68.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -73.45 -38.31 65.53 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.633 0.254 . . . . 0.0 111.471 -179.66 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -79.2 -33.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.942 0.401 . . . . 0.0 111.046 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -33.24 64.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.362 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.71 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.734 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -98.31 -31.88 11.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.92 165.84 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.3 m -138.69 64.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.7 109.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 171.92 174.86 39.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.533 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.1 m -106.02 110.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 0.0 110.631 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -70.49 127.75 33.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.296 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.518 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -149.36 154.56 39.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.124 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 2.0 t80 -143.16 141.78 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 111.292 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.7 126.58 50.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -73.78 -12.89 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.474 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.81 -33.41 7.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -160.46 27.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.344 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 51.95 89.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.193 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -160.18 136.3 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.556 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.88 161.95 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.521 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' ILE . 69.9 m -146.66 151.19 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.58 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.57 103.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.131 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.47 ' HB ' HG22 ' A' ' 42' ' ' VAL . 4.9 m -108.4 130.3 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.599 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.623 179.638 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 t -101.69 117.35 34.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 62.4 m-85 -102.66 149.06 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 51' ' ' THR . 0.9 OUTLIER -134.31 149.21 50.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 tp -130.68 127.95 39.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.136 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.703 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.4 mp -111.47 124.75 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.629 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 54' ' ' VAL . 2.3 mt -111.12 130.98 55.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.566 ' HB2' HG23 ' A' ' 55' ' ' THR . 5.1 m120 -126.97 110.12 12.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.621 HD21 ' CB ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -113.52 178.21 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -90.08 52.16 2.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.057 0.456 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.46 -40.6 0.01 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.384 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.36 177.67 10.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.084 0.469 . . . . 0.0 111.078 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.21 153.94 47.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -143.71 141.51 30.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -117.31 126.38 52.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.52 140.85 42.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.164 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -151.93 149.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.07 0.462 . . . . 0.0 111.835 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -168.85 152.67 5.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.583 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -105.61 114.17 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.93 167.84 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.339 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -93.28 20.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.755 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 2.8 m-20 -170.53 -87.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.797 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 22' ' ' ASP . . . 171.97 -38.35 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.029 0.442 . . . . 0.0 110.973 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.43 -29.11 7.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.616 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.56 -27.65 37.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.582 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -39.77 59.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.541 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.8 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.494 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -55.35 -38.04 68.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -72.85 -43.82 62.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.037 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.475 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.6 m-30 -62.5 -41.82 99.09 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.69 -33.14 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.574 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.62 -38.58 70.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.387 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.9 tp -78.49 -34.49 18.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.68 1.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -27.72 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.488 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.18 -17.73 32.0 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -30.25 10.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 111.208 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.621 ' CB ' HD21 ' A' ' 9' ' ' LEU . 1.6 t -150.76 174.3 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.967 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.8 t -152.01 47.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.26 117.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.429 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.75 172.83 36.7 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.372 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 55' ' ' THR . 10.7 m -102.54 112.12 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.083 0.468 . . . . 0.0 110.558 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -72.24 90.08 1.22 Allowed 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.597 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.7 p -106.82 153.46 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 2.2 t80 -143.34 145.71 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 0.0 111.069 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -120.45 140.68 51.03 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.8 m-20 -87.74 172.45 9.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 3.2 mm-40 85.49 -34.03 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.77 0.669 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.62 -17.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.235 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 2.7 mmtt 62.63 79.57 0.25 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.817 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 4' ' ' LYS . 98.4 m -148.72 137.93 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.018 0.437 . . . . 0.0 111.696 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -114.87 159.53 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.444 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 6' ' ' ILE . 85.4 m -146.52 148.78 32.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.654 0.264 . . . . 0.0 111.16 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.583 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -126.13 103.27 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.31 0.576 . . . . 0.0 110.293 179.404 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 8' ' ' ASN . 1.2 m -108.52 129.62 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.54 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--O 1.256 1.409 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.823 179.698 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.79 107.02 15.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 53.4 m-85 -80.28 149.08 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.774 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -133.44 149.8 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.072 0.463 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 7' ' ' LEU . 2.4 tp -127.06 131.86 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.832 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.807 ' N ' HD12 ' A' ' 5' ' ' LEU . 44.8 mm -107.29 110.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 5' ' ' LEU . 3.4 mt -102.94 120.7 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.949 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -127.02 106.53 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.29 179.07 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -83.65 62.15 6.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -177.86 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.085 0.469 . . . . 0.0 111.453 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.24 158.76 33.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.33 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -110.26 123.0 48.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -110.02 141.87 42.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.79 179.613 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.37 126.93 52.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.798 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.7 140.18 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.184 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 pt -152.04 154.44 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 111.628 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -168.82 136.7 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.547 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -92.61 109.39 20.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.68 139.23 36.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.5 m -59.8 -46.45 93.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.339 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' HG23 ' A' ' 21' ' ' VAL . 11.3 p-10 -101.54 -168.8 1.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.06 -30.91 7.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.289 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -35.29 14.1 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.3 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -78.67 -27.85 45.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.95 -38.32 45.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.692 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.64 -59.65 3.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.79 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -39.33 71.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.25 -49.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.507 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.6 m-85 -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.986 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -31.39 67.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -72.09 -38.5 69.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.211 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -79.85 -33.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.09 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -54.74 -32.2 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.51 -24.84 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.84 -35.03 14.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.29 -175.48 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 39' ' ' VAL . 17.3 t -150.18 40.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.2 128.44 0.87 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.218 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.573 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 167.34 172.1 34.12 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 55' ' ' THR . 22.0 t -105.64 107.85 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.484 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -69.62 128.69 37.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.401 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 2.2 p -151.14 156.35 40.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 2.9 t80 -143.39 142.8 31.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.071 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -120.38 142.83 48.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.821 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.1 t0 -86.68 178.52 7.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 1.9 mm-40 85.16 -34.44 0.05 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.718 HD12 ' CG2' ' A' ' 51' ' ' THR . 1.5 pt -130.68 -5.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.639 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.41 87.43 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.715 0.293 . . . . 0.0 111.306 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.718 ' CG2' HD12 ' A' ' 49' ' ' ILE . 26.4 p -155.14 139.18 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.701 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.8 163.26 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.421 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 6' ' ' ILE . 81.4 m -146.23 151.29 37.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.156 -0.34 . . . . 0.0 111.65 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.573 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -135.65 103.25 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.375 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.9 m -104.69 125.64 50.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.51 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.601 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.744 0.306 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -140.19 134.09 30.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.595 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 26.8 m-85 -122.03 149.96 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' CB ' HG22 ' A' ' 17' ' ' ILE . 5.0 mttt -132.71 150.13 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 6' ' ' ILE . 5.8 tp -131.0 123.78 29.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.977 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 5' ' ' LEU . 30.9 mm -103.18 112.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 14' ' ' GLU . 2.8 mt -98.89 124.6 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.713 ' HB3' HG22 ' A' ' 55' ' ' THR . 7.6 t-20 -127.2 101.13 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -110.94 178.84 4.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -88.34 55.96 3.63 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.763 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -167.13 -49.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.221 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.72 -169.34 2.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.17 139.05 49.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.35 0.595 . . . . 0.0 110.709 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -133.38 135.4 44.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -114.97 127.03 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.05 133.03 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.459 HG22 ' CB ' ' A' ' 4' ' ' LYS . 10.3 pt -151.7 148.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HE2' ' CZ ' ' A' ' 29' ' ' TYR . 2.1 ttpp -168.93 145.19 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.509 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 2.4 mt-10 -89.96 128.6 36.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.47 157.27 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 22' ' ' ASP . 3.2 p -62.51 -49.74 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' N ' HG13 ' A' ' 21' ' ' VAL . 6.6 p-10 -119.73 -167.47 1.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.755 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . . . -94.92 -34.03 12.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.065 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.99 -29.93 8.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.395 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -80.59 -28.9 36.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.857 0.361 . . . . 0.0 110.573 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -79.29 -42.9 24.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.611 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.41 -60.93 2.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.211 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -36.65 65.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.278 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CZ ' ' HE2' ' A' ' 18' ' ' LYS . 39.8 t80 -75.98 -38.77 57.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.883 0.373 . . . . 0.0 110.263 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.0 m-30 -67.11 -43.36 82.67 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HD3' HD22 ' A' ' 35' ' ' ASN . 6.5 tmtt? -60.53 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.954 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -59.58 -41.86 91.16 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.279 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.851 HD11 ' NZ ' ' A' ' 37' ' ' LYS . 9.9 tp -74.59 -29.9 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.905 0.384 . . . . 0.0 110.803 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' THR . . . -58.73 -72.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.529 HD22 ' HD3' ' A' ' 31' ' ' LYS . 1.1 p30 -64.22 -12.64 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -79.32 -20.51 47.72 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.851 ' NZ ' HD11 ' A' ' 33' ' ' ILE . 2.1 ptpp? -144.3 -38.89 0.29 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.519 HG21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -92.9 176.19 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -173.76 131.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.106 0.479 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.07 123.92 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.499 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.61 173.1 36.85 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.78 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 55' ' ' THR . 23.8 t -107.39 107.29 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.117 0.484 . . . . 0.0 110.518 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -67.93 112.03 4.71 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.591 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -130.86 160.13 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.201 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.43 147.5 34.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD3' HG23 ' A' ' 51' ' ' THR . 13.6 mtpt -117.89 133.55 55.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.99 121.5 29.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 pt-20 163.27 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.385 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 49' ' ' ILE . 24.3 mm -124.48 20.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.371 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.89 86.99 0.08 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.554 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.459 HG23 ' HD3' ' A' ' 46' ' ' LYS . 3.5 t -140.36 143.73 35.9 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.95 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.9 m-85 -124.69 160.44 28.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.45 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 6' ' ' ILE . 66.3 m -146.59 153.19 40.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.562 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.6 103.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.347 0.594 . . . . 0.0 110.177 179.236 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.713 HG22 ' HB3' ' A' ' 8' ' ' ASN . 4.2 p -106.58 128.56 54.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.732 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.973 179.648 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.69 0.281 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 t -101.54 132.13 47.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.749 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 31.7 m-85 -118.91 149.52 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HA ' HG22 ' A' ' 17' ' ' ILE . 52.2 mttt -130.45 150.17 51.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.96 0.41 . . . . 0.0 111.186 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.77 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.8 tp -130.91 133.66 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.228 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.77 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.4 mp -105.06 115.23 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.594 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.726 HD23 HG12 ' A' ' 54' ' ' VAL . 62.6 mt -103.91 127.85 51.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.329 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -122.07 101.27 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.791 HD21 HG22 ' A' ' 38' ' ' THR . 1.1 mt -112.99 179.28 4.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -88.92 46.03 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.002 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -179.73 83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.85 147.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -89.11 136.57 32.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -123.24 144.62 49.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -124.14 125.51 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.5 138.38 45.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 4' ' ' LYS . 10.3 pt -151.93 161.73 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.018 0.437 . . . . 0.0 111.67 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.809 ' HE2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -168.8 166.08 11.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.998 -179.286 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.56 129.19 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.809 ' HB2' ' HE2' ' A' ' 18' ' ' LYS . . . -139.82 178.98 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -92.28 20.81 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.834 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.45 -165.48 0.33 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.749 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -109.25 -40.67 4.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.531 0.205 . . . . 0.0 111.066 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.52 -29.08 11.02 Favored Glycine 0 CA--C 1.511 -0.216 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.89 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -75.4 -29.93 59.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.484 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.53 -36.6 63.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.4 tt0 -68.3 -74.76 0.12 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.42 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.09 -30.57 1.94 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.759 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.411 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 9.9 t80 -78.83 -45.55 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.8 m-30 -63.36 -40.85 98.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -40.24 89.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.87 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.12 -41.14 92.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.966 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.3 tp -77.59 -29.41 16.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.802 0.334 . . . . 0.0 110.83 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.38 -64.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -25.17 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.873 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.35 -67.49 0.79 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.83 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -69.41 -30.18 68.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.966 -179.114 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 37' ' ' LYS . 17.6 p -118.6 176.57 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.196 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.625 ' O ' HG22 ' A' ' 39' ' ' VAL . 13.9 p -166.63 31.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.82 124.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.967 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.702 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.21 169.57 32.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.925 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 55' ' ' THR . 3.8 t -102.03 107.66 22.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.294 0.569 . . . . 0.0 109.967 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -69.44 126.82 30.93 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.719 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.481 HG22 ' HB ' ' A' ' 53' ' ' THR . 7.3 t -151.6 155.16 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 1.3 t80 -143.4 147.99 35.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 111.191 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.55 137.84 54.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.632 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 4.8 t0 -88.07 166.91 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.2 tp10 90.94 -33.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.358 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.27 -15.96 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 61.46 80.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -151.5 141.21 21.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.723 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.529 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -114.94 163.76 15.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.431 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.481 ' HB ' HG22 ' A' ' 44' ' ' THR . 62.5 m -146.39 150.94 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.841 0.353 . . . . 0.0 111.551 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.726 HG12 HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -135.64 100.58 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.206 0.527 . . . . 0.0 110.43 179.139 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 26.6 m -94.96 117.61 30.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.684 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.724 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.5 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.4 HG23 ' CB ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -95.06 130.21 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.672 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 24.5 m-85 -120.49 146.63 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.549 ' HB2' HG22 ' A' ' 51' ' ' THR . 12.3 mttp -125.51 148.98 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.188 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 6' ' ' ILE . 1.7 tp -127.63 131.48 49.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.181 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.871 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.4 mp -111.68 107.59 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.833 HD21 HD21 ' A' ' 5' ' ' LEU . 1.1 mt -97.99 123.68 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.25 104.15 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -95.0 179.44 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -47.39 7.87 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.16 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 13.8 tt0 -144.6 66.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 111.65 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.742 ' HB3' HD11 ' A' ' 9' ' ' LEU . . . 168.4 152.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.27 124.51 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.82 135.49 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.639 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -111.78 117.07 31.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.273 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.49 130.41 55.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.697 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.1 152.54 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 111.556 -179.412 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.86 152.81 5.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.562 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' CB ' HG23 ' A' ' 2' ' ' THR . 7.2 tm-20 -112.45 137.61 50.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.8 177.07 8.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 111.339 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 22' ' ' ASP . 28.3 m -64.09 -47.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.844 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.492 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.1 m-20 -121.76 -75.17 0.6 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.34 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.672 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -178.45 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.04 -29.52 3.42 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -32.4 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.1 63.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 110.707 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.7 tt0 -64.74 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -47.5 -30.01 3.17 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.484 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.1 t80 -78.04 -46.86 19.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.7 m-30 -62.57 -40.89 98.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -60.43 -37.05 79.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.935 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.37 -39.43 93.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.284 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -76.55 -34.39 24.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.387 . . . . 0.0 110.544 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.12 -59.41 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.374 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.611 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -55.69 -33.73 64.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.836 179.657 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.1 6.15 47.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.425 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -101.59 -37.34 8.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.143 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -176.27 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.39 0.138 . . . . 0.0 111.219 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG22 ' HA ' ' A' ' 35' ' ' ASN . 13.8 t 74.58 63.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.95 118.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 164.53 175.86 35.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.617 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.6 m -107.13 111.08 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.174 0.512 . . . . 0.0 110.534 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -66.68 113.57 4.92 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.164 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.2 p -134.07 164.58 27.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.43 36.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.026 0.441 . . . . 0.0 111.1 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -115.39 131.56 56.89 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.648 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 12.7 t70 -88.75 121.55 31.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.111 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 2.4 mm-40 155.55 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.466 0.707 . . . . 0.0 110.279 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 49' ' ' ILE . 1.9 mp -130.18 16.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 178.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 57.1 86.37 0.07 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 4' ' ' LYS . 76.9 p -140.03 129.21 23.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.997 0.427 . . . . 0.0 111.719 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 3.9 m-85 -106.31 158.85 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 6' ' ' ILE . 92.7 m -146.55 151.44 37.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.987 0.422 . . . . 0.0 111.37 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.575 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -133.64 101.73 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.124 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' HG22 ' A' ' 42' ' ' VAL . 3.0 m -103.2 129.24 50.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.641 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.673 179.702 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.762 0.315 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 p -114.29 142.41 46.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.499 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.2 m-85 -122.23 149.9 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.616 ' CG ' HG22 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -125.83 151.3 47.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.061 0.458 . . . . 0.0 110.985 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 6' ' ' ILE . 6.5 tp -133.31 129.7 37.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.149 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 5' ' ' LEU . 39.6 mm -103.39 107.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.926 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD21 HD21 ' A' ' 5' ' ' LEU . 17.7 mt -95.19 123.51 38.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.202 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 101.28 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.922 HD21 ' HB3' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -105.36 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG2' HD12 ' A' ' 9' ' ' LEU . 5.6 pttp -40.84 -53.88 2.79 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.053 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -143.54 73.71 1.4 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.392 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.922 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . 169.02 146.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.047 0.451 . . . . 0.0 111.147 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -136.76 107.27 6.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -118.09 150.59 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.18 128.62 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.46 138.76 45.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.196 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.616 HG22 ' CG ' ' A' ' 4' ' ' LYS . 4.8 pt -145.98 162.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.997 0.427 . . . . 0.0 111.783 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -168.83 140.64 2.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.642 -179.358 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.13 116.1 31.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.88 171.21 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -92.34 20.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.691 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.4 t0 -174.17 -166.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 110.666 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.58 -37.98 7.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.244 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.47 -32.96 10.92 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.566 -0.825 . . . . 0.0 112.227 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -80.79 -27.83 36.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.582 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.48 -41.32 27.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.597 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.06 -58.77 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -55.02 -39.23 68.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 18' ' ' LYS . 32.6 t80 -71.78 -43.28 65.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.14 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-30 -63.28 -43.55 97.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.135 0.493 . . . . 0.0 109.745 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -34.5 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.082 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.66 -38.64 77.17 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.197 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.1 tp -81.43 -36.47 14.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.823 0.344 . . . . 0.0 110.983 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -62.22 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.83 -23.85 64.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.551 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -99.83 -31.95 11.25 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 -177.37 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.954 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -153.56 37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -174.78 135.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.582 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 162.33 172.83 30.27 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.595 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 55' ' ' THR . 5.3 t -101.81 107.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.152 0.501 . . . . 0.0 110.054 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -69.36 118.94 12.88 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.5 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -142.64 165.7 26.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.164 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.31 131.63 22.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.123 0.487 . . . . 0.0 111.349 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -92.92 128.9 38.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.42 113.48 24.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 165.88 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 51' ' ' THR . 1.4 pt -117.68 17.3 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.605 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 61.0 90.55 0.06 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.997 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.582 HG22 ' HB2' ' A' ' 4' ' ' LYS . 80.4 p -149.23 146.16 27.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 0.0 112.017 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 2.4 m-85 -120.61 160.93 22.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.082 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 6' ' ' ILE . 55.4 m -146.68 152.41 38.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 111.576 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.585 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.66 100.64 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.082 179.14 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 p -101.02 124.67 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.584 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.714 179.716 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -94.15 136.13 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 59.4 m-85 -126.58 148.74 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 51' ' ' THR . 6.2 mttm -133.01 149.69 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.0 tp -132.28 128.02 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.372 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 5' ' ' LEU . 36.0 mm -102.01 107.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.476 HD23 HG12 ' A' ' 54' ' ' VAL . 11.5 mt -98.34 119.52 37.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.232 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -124.01 100.64 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 179.34 3.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -82.71 50.37 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.31 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.434 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.16 168.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HE3' HG23 ' A' ' 6' ' ' ILE . 52.7 tttt -117.74 140.57 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.13 143.89 50.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -118.09 137.74 52.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -116.82 138.04 51.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.394 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 pt -152.09 153.08 10.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 111.602 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.89 142.51 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.641 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.77 110.73 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.01 177.21 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.8 t -92.38 20.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.695 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.06 -165.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.695 0.283 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.58 -35.46 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.17 -31.25 11.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.088 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -80.26 -28.01 38.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.477 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.56 -39.08 53.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.674 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.16 -61.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -55.12 -34.54 63.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.45 -43.47 39.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.775 0.321 . . . . 0.0 110.184 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' O ' HG22 ' A' ' 33' ' ' ILE . 6.2 m-30 -63.86 -42.09 97.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -37.43 80.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.03 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.29 -37.86 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.249 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.3 tp -79.81 -31.61 13.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.36 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.746 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -35.72 67.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.7 62.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -85.13 -33.54 22.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -172.21 -176.59 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.526 ' O ' HG22 ' A' ' 39' ' ' VAL . 11.0 p -151.18 55.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -165.82 117.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.784 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 166.64 172.15 33.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.62 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 42' ' ' VAL . 30.4 m -102.81 110.95 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.214 0.53 . . . . 0.0 110.347 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -71.81 105.97 3.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.486 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 17.0 p -123.0 155.51 36.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.011 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.31 143.51 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.638 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -114.93 144.71 43.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.264 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -95.59 -9.1 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 49' ' ' ILE . 2.4 mp0 -57.75 -33.83 68.89 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.339 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -158.32 32.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 4.8 mmtt 48.87 88.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.22 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.2 m -153.57 133.27 13.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -110.21 161.42 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.555 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' ILE . 64.0 m -146.71 152.29 38.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.418 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.9 101.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.071 179.229 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.43 ' HB ' HG22 ' A' ' 42' ' ' VAL . 1.1 m -106.16 127.44 53.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.517 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.942 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.445 HG23 ' CB ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -129.73 119.82 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.441 ' CE2' ' HD3' ' A' ' 50' ' ' LYS . 41.2 m-85 -115.95 149.42 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.813 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -133.73 149.29 51.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 111.161 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.3 tp -124.95 121.92 35.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.154 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.7 mp -100.65 115.69 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.14 125.7 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -126.08 101.3 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 12' ' ' ALA . 1.4 mt -106.18 179.0 4.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -55.77 -46.31 77.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.261 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.15 58.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.983 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.779 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -177.23 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.103 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -97.8 120.16 37.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.722 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.52 142.19 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -103.37 130.84 50.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.58 140.79 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.485 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.49 HG22 ' HG2' ' A' ' 4' ' ' LYS . 10.1 pt -151.94 147.94 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 0.0 111.589 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.85 140.4 2.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.543 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' CB ' HG23 ' A' ' 2' ' ' THR . 0.4 OUTLIER -104.47 120.11 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.5 171.57 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.9 p -93.33 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.6 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -169.22 -166.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.658 0.266 . . . . 0.0 110.817 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.42 -38.73 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.25 -28.52 8.85 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.131 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -80.76 -29.29 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.486 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.06 -39.77 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.24 -60.28 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.437 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -54.96 -36.69 65.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -73.04 -48.39 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.534 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.52 ' O ' HG22 ' A' ' 33' ' ' ILE . 7.0 m-30 -61.6 -42.64 99.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.877 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -34.27 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -68.42 -37.86 80.68 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.285 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.8 tp -80.16 -36.7 16.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.95 -69.06 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -33.44 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -59.97 -24.64 64.58 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.372 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -153.01 43.76 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -165.33 117.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.39 27.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.325 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 179.35 119.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.592 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . -178.75 165.34 34.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.645 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 55' ' ' THR . 10.8 t -108.28 105.88 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.243 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -64.91 127.3 30.99 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.524 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.415 ' CG2' ' HB ' ' A' ' 53' ' ' THR . 8.3 t -151.45 167.5 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.392 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.29 139.3 30.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.046 0.45 . . . . 0.0 111.265 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.55 135.16 44.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.14 118.11 28.61 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.37 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.169 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.7 mt -124.94 24.65 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 3' ' ' TYR . 1.5 mmpt? 58.57 88.9 0.06 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.621 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.813 HG22 ' HB2' ' A' ' 4' ' ' LYS . 17.5 p -141.2 147.02 37.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.195 0.522 . . . . 0.0 112.212 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 5.7 m-85 -123.23 156.9 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.929 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 6' ' ' ILE . 86.8 m -146.37 153.23 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.419 . . . . 0.0 111.603 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.592 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -135.25 106.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.196 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.863 ' O ' HG23 ' A' ' 42' ' ' VAL . 56.6 m -109.99 127.79 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.439 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.786 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.751 0.31 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.718 HG22 ' CG ' ' A' ' 19' ' ' GLU . 17.3 p -102.22 115.07 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -103.64 141.87 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HG2' HG22 ' A' ' 17' ' ' ILE . 7.9 mtmm -123.2 151.34 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.137 0.494 . . . . 0.0 111.104 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.786 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 5.4 tp -130.16 124.24 32.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.072 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 5' ' ' LEU . 43.4 mm -103.27 109.23 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.988 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.628 HD23 HG12 ' A' ' 54' ' ' VAL . 3.5 mt -100.54 125.97 46.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.197 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.662 ' HB3' HG23 ' A' ' 55' ' ' THR . 3.4 t-20 -127.25 101.39 6.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.48 178.9 4.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.031 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 66.81 4.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.71 -46.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.68 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -91.95 124.72 36.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 110.697 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.97 136.53 53.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -111.11 123.42 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.422 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.786 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.47 135.9 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.318 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.608 HG22 ' HG2' ' A' ' 4' ' ' LYS . 5.2 pt -146.06 155.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.057 0.456 . . . . 0.0 111.543 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -168.75 134.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.584 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.718 ' CG ' HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -108.13 114.32 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.9 168.44 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.8 t -92.46 20.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -159.39 -165.43 1.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.761 0.315 . . . . 0.0 110.772 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.13 -41.18 2.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.09 -31.08 10.77 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.904 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -29.27 39.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.365 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.386 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.07 -61.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.521 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.23 -36.3 63.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -71.62 -51.8 21.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.2 m-85 -60.27 -42.85 96.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.993 0.425 . . . . 0.0 109.921 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -57.58 -32.34 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.006 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.43 -38.62 71.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.9 tp -81.75 -35.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 110.757 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -63.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -37.28 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.32 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.1 61.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.697 0.284 . . . . 0.0 111.632 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -100.26 -28.79 12.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 179.15 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 39' ' ' VAL . 18.4 t -149.09 37.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -176.42 134.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.574 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 163.58 169.52 27.18 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.579 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.9 m -103.23 108.87 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.229 0.537 . . . . 0.0 110.367 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -70.81 126.86 30.75 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.465 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 22.6 p -147.57 147.21 29.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.207 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.432 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 17.8 t80 -143.07 138.62 30.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.114 0.483 . . . . 0.0 111.565 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' CD ' ' HB3' ' A' ' 48' ' ' GLU . 4.0 ttmt -120.72 124.96 46.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.169 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -25.06 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB3' ' CD ' ' A' ' 46' ' ' LYS . 18.4 tp10 -52.93 -34.56 55.92 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.084 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.555 ' O ' HG22 ' A' ' 49' ' ' ILE . 20.6 mt -128.78 0.86 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.54 69.18 0.75 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.015 0.436 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 4.7 p -152.61 142.47 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 111.461 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -106.03 162.96 13.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.596 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 6' ' ' ILE . 86.9 m -146.62 148.13 31.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.799 0.333 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.58 102.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.252 0.548 . . . . 0.0 110.428 179.352 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.662 HG23 ' HB3' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -103.72 125.32 50.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.526 -179.155 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.698 179.802 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.796 0.331 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 19' ' ' GLU . 7.1 m -140.07 113.93 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.1 m-85 -104.78 148.75 26.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.88 149.03 51.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.776 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.5 tp -132.89 129.54 38.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.054 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.8 mp -104.6 111.72 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.737 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.85 127.42 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -126.9 101.16 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.786 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.697 ' HB3' HG21 ' A' ' 38' ' ' THR . 0.8 OUTLIER -114.74 179.27 4.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -82.15 54.06 2.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.663 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 171.85 86.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.231 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.78 171.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -117.51 136.36 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.42 136.8 54.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.734 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -111.9 127.37 55.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.237 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.58 132.25 54.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.686 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.12 152.21 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.41 . . . . 0.0 111.517 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 8.0 tttp -168.94 144.3 3.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.698 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.487 ' HG2' HG23 ' A' ' 2' ' ' THR . 20.9 mt-10 -96.79 121.98 39.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.9 142.95 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.3 m -59.77 -46.55 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.49 ' N ' HG23 ' A' ' 21' ' ' VAL . 54.8 p-10 -112.68 -167.35 1.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.764 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.84 -34.53 9.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.738 0.304 . . . . 0.0 111.243 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -33.36 10.84 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.174 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -80.92 -28.63 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.86 -41.57 43.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.45 -59.64 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -55.38 -37.14 67.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 14.6 t80 -72.89 -49.37 30.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.5 m-85 -61.11 -43.85 98.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -57.92 -35.21 70.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -66.55 -39.89 88.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.164 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.8 tp -78.42 -37.39 21.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.839 0.352 . . . . 0.0 110.804 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.96 -63.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.848 ' O ' HG22 ' A' ' 39' ' ' VAL . 1.6 m120 -55.08 -28.38 51.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 -0.14 57.44 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -37.59 7.22 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.666 0.246 . . . . 0.0 111.666 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.697 HG21 ' HB3' ' A' ' 9' ' ' LEU . 14.6 p -140.15 -42.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.608 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 35' ' ' ASN . 5.6 t 78.7 31.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.872 0.367 . . . . 0.0 111.0 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.66 146.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.829 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.449 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 157.07 178.07 30.79 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.73 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 55' ' ' THR . 6.5 t -107.51 106.45 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.022 0.439 . . . . 0.0 110.208 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -65.07 129.15 38.66 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.501 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.37 154.24 36.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.263 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.25 146.85 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.07 0.462 . . . . 0.0 111.17 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 8.1 ttpt -119.71 136.89 54.24 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.741 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 3.3 t0 -87.79 123.48 32.63 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.562 ' HG2' HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER 164.12 -61.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.674 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.4 mt -128.49 22.3 2.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.052 0.454 . . . . 0.0 110.077 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.3 84.39 0.11 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.41 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 3.0 t -134.35 143.88 47.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.104 0.478 . . . . 0.0 111.941 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -129.57 158.49 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.264 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 6' ' ' ILE . 94.2 m -146.54 149.54 33.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.561 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.64 104.26 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.087 179.187 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 42' ' ' VAL . 33.5 m -102.02 125.86 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.583 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.745 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.834 0.35 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.464 HG22 ' HG3' ' A' ' 19' ' ' GLU . 39.4 p -97.45 88.39 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 61.4 m-85 -74.18 147.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HG2' HG22 ' A' ' 17' ' ' ILE . 9.8 mttp -126.31 149.68 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.599 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.8 tp -133.13 120.45 21.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.8 mp -96.92 107.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 54' ' ' VAL . 4.4 mt -101.46 131.01 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.072 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.12 100.99 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.491 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.92 167.58 10.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.13 -25.01 29.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.428 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.37 90.92 3.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.791 0.329 . . . . 0.0 111.074 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 54.57 173.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.267 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -111.27 134.11 53.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.675 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.52 144.71 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -117.8 132.23 56.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.67 139.82 44.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.404 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.437 HG22 ' HG2' ' A' ' 4' ' ' LYS . 6.1 pt -152.1 150.12 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.578 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -168.89 141.48 2.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.673 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HG3' HG22 ' A' ' 2' ' ' THR . 7.5 tt0 -102.76 117.7 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.74 177.11 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -92.3 20.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.649 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -178.04 -165.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.285 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.47 -37.82 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.37 -29.65 10.92 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.142 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -28.44 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.341 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.65 49.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.588 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.77 -58.9 4.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -56.24 -38.16 70.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.826 0.346 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.628 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.9 m-30 -61.33 -43.26 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -36.34 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.061 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.99 -41.31 95.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.688 0.28 . . . . 0.0 111.258 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.5 tp -74.45 -29.99 25.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -68.39 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.736 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -20.36 37.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.456 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.54 -23.96 29.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.56 0.219 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.612 ' O ' HG23 ' A' ' 38' ' ' THR . 0.7 OUTLIER -102.61 -31.93 10.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 120.746 0.308 . . . . 0.0 111.333 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -165.94 -177.3 4.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.809 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.6 p -153.52 63.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.252 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.71 123.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 164.74 172.5 32.28 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.682 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 55' ' ' THR . 7.7 t -104.51 107.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 110.415 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -69.88 128.02 34.92 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.482 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 7.2 t -151.51 159.58 44.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.1 t80 -143.26 143.0 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.11 0.481 . . . . 0.0 111.459 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -120.64 133.46 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.45 -4.54 51.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.685 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -51.27 -35.32 36.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.096 0.474 . . . . 0.0 111.356 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -162.85 28.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.16 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 56.54 85.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.039 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -157.22 138.94 14.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 111.417 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.74 164.83 11.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.305 179.621 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 6' ' ' ILE . 67.7 m -146.56 150.7 36.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.51 103.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.294 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 m -103.13 125.45 49.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.38 -178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.585 179.751 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.93 0.395 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -95.53 131.19 41.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 28.5 m-85 -116.3 149.17 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -130.27 149.95 51.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.782 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.837 HD21 HD21 ' A' ' 7' ' ' LEU . 5.9 tp -132.98 134.05 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.3 mp -110.13 108.52 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.661 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.847 HD23 HG12 ' A' ' 54' ' ' VAL . 11.7 mt -103.18 131.08 50.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.237 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -127.18 105.42 8.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.16 178.93 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -78.63 63.5 3.44 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -178.26 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.47 -169.55 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 124.75 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 127.37 55.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.7 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -100.18 126.52 46.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 111.035 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.48 131.08 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.614 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.691 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -138.84 150.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.385 -179.678 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -168.82 144.28 3.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.763 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.07 125.94 40.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.52 161.64 37.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 22' ' ' ASP . 30.8 m -59.82 -46.39 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.31 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' N ' HG23 ' A' ' 21' ' ' VAL . 11.9 m-20 -131.52 -165.02 1.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.75 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.63 -34.51 18.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.238 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.19 10.81 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.186 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -79.68 -29.34 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.48 -42.97 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.51 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.82 -54.42 39.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.97 75.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.303 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.53 -45.29 46.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.861 0.363 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.641 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.2 m-30 -61.47 -43.12 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 13.9 tttt -58.85 -37.43 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.913 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -62.97 -41.13 99.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.115 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -76.15 -28.37 18.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.9 0.381 . . . . 0.0 111.005 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.54 -71.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 7.1 p30 -58.72 -20.67 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.761 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.73 -67.68 0.74 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.871 0.367 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' HD2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.9 -25.53 64.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.184 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -134.76 172.12 13.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -148.79 31.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.302 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.7 142.42 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.578 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 162.37 171.74 28.92 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 55' ' ' THR . 11.5 t -105.37 107.64 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.093 0.473 . . . . 0.0 110.329 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.13 129.2 39.0 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.531 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.1 p -151.22 157.69 42.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.195 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.43 148.63 36.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 111.24 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 9.4 ttpt -117.9 132.13 56.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.581 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 8.7 t70 -88.6 123.15 32.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.0 mm-40 154.77 -51.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.1 pp -128.66 15.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.843 0.354 . . . . 0.0 110.504 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 8.2 mmtt 57.86 82.7 0.12 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 2.3 t -138.41 138.54 38.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 111.71 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -119.51 161.45 20.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.343 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 6' ' ' ILE . 91.4 m -146.55 149.77 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 111.487 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.847 HG12 HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -135.72 103.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.118 179.017 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -103.85 125.81 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.495 -178.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.692 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.6 105.58 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 57.4 m-85 -102.6 148.93 24.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -136.5 150.15 48.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 0.0 111.053 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.6 tp -126.5 127.93 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.002 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.738 ' N ' HD12 ' A' ' 5' ' ' LEU . 44.5 mm -104.17 112.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.575 HD22 ' HD2' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -99.48 130.96 45.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.016 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -127.21 101.53 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.717 HD21 ' HB ' ' A' ' 38' ' ' THR . 1.3 mt -113.62 157.98 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -39.33 70.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -61.59 2.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.78 -175.46 5.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -113.91 139.28 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.7 144.28 51.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -109.83 123.52 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.98 0.419 . . . . 0.0 111.368 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.56 133.25 53.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.6 157.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.024 0.44 . . . . 0.0 111.528 -179.468 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.81 144.11 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.6 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -110.54 114.89 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 161.37 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.28 20.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.682 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -162.6 -165.83 1.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.729 0.3 . . . . 0.0 110.684 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.25 -38.3 3.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.05 -30.81 10.19 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.099 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -81.37 -27.95 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.6 49.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.995 0.426 . . . . 0.0 110.639 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.05 -59.95 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.457 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -54.95 -37.25 66.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -71.95 -52.33 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.544 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.0 m-85 -59.94 -42.24 93.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.884 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -40.28 79.2 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.27 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.2 tp -75.9 -37.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.869 0.366 . . . . 0.0 110.532 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.83 -73.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.476 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.871 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -51.37 -26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.63 7.28 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.762 ' HG3' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -147.59 15.93 1.12 Allowed 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.731 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.762 HG22 ' HG3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER 176.61 -76.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 111.588 179.227 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.871 HG22 ' HA ' ' A' ' 35' ' ' ASN . 3.8 t 79.86 33.7 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -164.43 128.24 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 156.05 -179.7 31.76 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 55' ' ' THR . 10.5 t -104.51 107.65 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.276 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -68.52 129.66 40.56 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.597 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.492 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.28 147.86 27.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.103 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 4.0 t80 -143.12 139.97 30.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 111.47 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -120.44 118.66 30.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.377 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -17.8 62.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.423 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.92 -29.79 57.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.707 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.46 HD12 ' OG1' ' A' ' 51' ' ' THR . 1.4 pt -145.9 18.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 47.04 78.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.901 0.382 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 4' ' ' LYS . 92.8 m -155.26 136.15 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.596 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -108.93 159.66 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.364 179.481 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.2 m -146.53 150.11 34.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.247 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.573 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.46 103.78 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.213 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.1 p -100.71 123.92 45.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.806 179.725 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -126.83 133.26 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 27.9 m-85 -127.16 145.53 50.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HA ' HG22 ' A' ' 17' ' ' ILE . 4.9 mttm -130.51 150.46 51.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.71 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.4 tp -132.06 129.09 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.152 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 5' ' ' LEU . 35.8 mm -102.45 107.52 22.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 54' ' ' VAL . 7.8 mt -96.02 116.82 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.076 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -113.28 101.25 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.531 ' CD2' HG23 ' A' ' 38' ' ' THR . 1.4 mp -101.08 168.59 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.974 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -21.15 19.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.632 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -142.67 115.17 8.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.717 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 11' ' ' GLN . . . 72.28 154.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.357 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -126.54 137.55 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.3 162.68 24.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -129.8 135.12 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.77 132.11 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.692 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.64 157.07 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.028 0.442 . . . . 0.0 111.724 -179.428 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.82 144.43 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.625 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.52 117.54 32.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.79 147.94 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -59.78 -35.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.533 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 2.8 p30 -121.43 -167.63 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.693 0.282 . . . . 0.0 110.742 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.24 -30.97 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.98 -39.72 19.07 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.156 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -27.17 55.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.86 -36.89 49.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.56 -60.25 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.541 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -56.79 -42.34 79.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.27 -42.44 93.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.519 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.3 m-30 -65.43 -42.18 92.74 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.69 81.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.23 -38.95 92.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.356 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.9 tp -80.07 -33.48 14.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.03 -62.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.643 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -55.74 -35.11 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -23.88 62.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.467 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.26 -1.73 15.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.582 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.531 HG23 ' CD2' ' A' ' 9' ' ' LEU . 2.9 m -163.77 168.56 19.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 39' ' ' VAL . 16.2 t -148.64 37.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.13 129.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.54 169.08 32.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.45 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 55' ' ' THR . 10.9 m -104.39 109.97 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.162 0.506 . . . . 0.0 110.246 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -69.33 127.64 33.76 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.384 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 70.4 p -151.35 158.69 44.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.38 146.47 33.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.022 0.439 . . . . 0.0 111.174 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.02 132.23 55.47 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.8 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -89.52 115.61 27.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 163.84 -62.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.004 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.524 ' O ' HG22 ' A' ' 49' ' ' ILE . 13.5 mt -118.28 16.74 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.55 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.98 88.21 0.07 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 27.1 m -143.1 144.34 32.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.186 0.517 . . . . 0.0 112.184 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -127.83 156.93 41.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.846 179.296 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 6' ' ' ILE . 57.8 m -146.46 150.97 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.187 0.518 . . . . 0.0 111.725 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.563 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.75 103.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.012 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.531 ' O ' HG22 ' A' ' 42' ' ' VAL . 38.9 m -106.21 129.25 54.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.833 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 29.3 tt0 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.699 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -119.6 125.91 49.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.3 m-85 -128.48 141.89 51.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 150.34 52.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.762 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.9 tp -129.78 131.5 46.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.762 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.8 mp -110.14 107.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.796 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.717 HD21 HD21 ' A' ' 5' ' ' LEU . 1.2 mt -94.67 128.09 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.2 101.4 6.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.96 179.19 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -81.81 61.02 4.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.976 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.84 -48.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.83 -167.62 2.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 146.34 40.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.71 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -132.31 134.07 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.742 179.839 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -104.49 124.35 49.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.349 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.56 132.27 54.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.303 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -135.72 151.18 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.539 -179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.483 ' NZ ' HG22 ' A' ' 25' ' ' THR . 1.3 tttp -168.84 148.21 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.635 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.05 118.51 36.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.73 160.57 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.16 20.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.719 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.41 -166.77 1.59 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.68 0.276 . . . . 0.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.99 -39.73 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 -31.65 9.82 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.037 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.483 HG22 ' NZ ' ' A' ' 18' ' ' LYS . 23.3 m -82.44 -28.26 31.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.427 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.06 28.26 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.49 -58.49 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -40.47 69.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.51 -50.04 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.167 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 m-85 -61.21 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.936 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -57.89 -32.81 68.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.143 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.19 -38.66 75.39 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.146 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.1 tp -81.03 -32.61 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -61.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.669 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -34.78 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.65 -22.31 56.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 -33.23 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 0.0 111.23 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -147.02 173.85 12.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.5 p -140.0 33.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.44 132.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.483 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 170.78 174.3 38.59 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 55' ' ' THR . 2.7 t -103.13 105.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 0.0 110.306 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -70.33 97.94 1.32 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.491 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 47.6 p -116.65 158.64 23.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.358 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.33 146.37 33.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 0.1 OUTLIER -116.99 137.25 52.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.819 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.32 121.48 31.64 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.968 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 164.34 -62.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.249 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 49' ' ' ILE . 21.8 mt -126.31 19.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.414 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.94 89.9 0.08 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.426 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 14.5 t -141.62 143.56 33.72 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.354 -0.538 . . . . 0.0 112.167 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -128.11 157.34 41.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.229 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.9 m -146.41 150.63 36.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.57 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -130.53 102.91 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.375 0.607 . . . . 0.0 110.259 179.229 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.795 ' O ' HG23 ' A' ' 42' ' ' VAL . 6.8 m -100.18 124.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.358 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.665 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.841 0.353 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.748 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -97.32 112.46 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 62.9 m-85 -100.81 148.63 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' HB2' HG23 ' A' ' 51' ' ' THR . 10.9 mttp -137.33 150.48 47.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.965 0.412 . . . . 0.0 111.221 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.0 tp -129.61 118.1 21.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.947 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 5' ' ' LEU . 35.1 mm -92.86 107.48 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.424 HD21 HD21 ' A' ' 5' ' ' LEU . 53.3 mt -91.98 125.93 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.403 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.21 100.89 6.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -114.47 179.48 3.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.974 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.48 17.74 2.54 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.494 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -149.48 80.36 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 11' ' ' GLN . . . 68.31 146.95 0.05 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.64 150.62 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.9 140.23 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -113.48 125.84 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.59 132.06 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.49 153.3 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 111.503 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HE2' ' CD2' ' A' ' 29' ' ' TYR . 2.2 ttpp -168.89 144.16 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.629 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.748 ' HG3' HG22 ' A' ' 2' ' ' THR . 8.4 mp0 -96.52 122.59 39.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.85 147.71 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 22' ' ' ASP . 20.2 m -59.87 -47.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.345 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 21' ' ' VAL . 13.8 p-10 -114.49 -167.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.82 -31.31 11.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.07 -30.92 10.42 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -29.24 44.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.557 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.16 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -64.52 -59.62 4.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.455 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.88 -40.65 73.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CD2' ' HE2' ' A' ' 18' ' ' LYS . 31.6 t80 -70.94 -46.07 63.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.351 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 33' ' ' ILE . 9.0 m-30 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 109.844 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -60.51 -30.7 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.397 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.27 -38.09 63.52 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -74.76 -40.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 110.979 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.16 -57.13 13.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.683 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.949 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -54.74 -34.5 62.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 5.77 49.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.706 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -40.71 5.64 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.465 0.174 . . . . 0.0 111.373 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.502 ' C ' HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -168.53 -50.11 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.259 0.552 . . . . 0.0 111.602 -179.8 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 35' ' ' ASN . 3.6 t 77.9 63.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.057 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.06 121.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.428 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 157.43 -178.71 33.65 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.726 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 55' ' ' THR . 11.5 t -104.59 108.83 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.394 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -69.11 108.75 3.71 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 81.8 p -126.88 154.49 44.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.464 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.14 144.05 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.321 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 140.19 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.524 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.46 -3.78 58.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.494 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.49 -35.14 52.27 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.605 0.241 . . . . 0.0 111.121 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -166.99 32.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.246 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 7.6 mmtp 56.41 83.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.389 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 4' ' ' LYS . 92.6 m -147.59 134.05 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.345 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -111.26 159.64 17.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.514 179.791 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.442 HG23 ' HB ' ' A' ' 6' ' ' ILE . 92.5 m -146.54 154.24 41.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.993 0.425 . . . . 0.0 110.987 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.586 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.72 101.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 0.0 110.167 179.172 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 42' ' ' VAL . 57.2 m -100.51 124.37 45.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.475 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.808 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.877 HG23 ' HG2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -86.36 101.32 12.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 57.1 m-85 -80.58 149.03 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.721 ' HG2' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -127.42 151.24 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 111.156 -179.732 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 7' ' ' LEU . 6.6 tp -138.16 117.65 12.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.001 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 53' ' ' THR . 36.9 mm -98.91 114.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 5' ' ' LEU . 4.9 mt -105.32 125.64 51.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.692 ' HB3' HG23 ' A' ' 55' ' ' THR . 6.0 t-20 -118.45 116.49 26.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.794 ' CD2' HG23 ' A' ' 38' ' ' THR . 0.8 OUTLIER -114.19 178.98 4.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -93.97 47.1 1.2 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.66 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 -169.92 3.12 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.57 127.4 29.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -111.26 136.7 49.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.763 179.789 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -109.24 119.82 40.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.49 132.06 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.307 179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.721 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -143.31 161.09 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.655 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' CD ' ' CG ' ' A' ' 29' ' ' TYR . 2.7 tttp -168.79 148.73 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.877 ' HG2' HG23 ' A' ' 2' ' ' THR . 4.2 mt-10 -111.35 111.92 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.07 149.75 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.6 m -59.9 -46.57 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.9 p30 -106.54 -167.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.782 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.66 -33.38 9.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.83 -31.09 9.71 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.229 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -80.2 -29.46 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.541 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -76.77 -42.17 41.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -58.44 6.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.398 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -40.91 72.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.452 ' CG ' ' CD ' ' A' ' 18' ' ' LYS . 21.6 t80 -69.98 -45.2 67.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.307 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 3.0 m-30 -62.37 -43.76 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.012 0.434 . . . . 0.0 109.958 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -30.93 66.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.37 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.6 -38.37 62.61 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.657 0.265 . . . . 0.0 111.481 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.6 tp -79.21 -39.24 20.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.883 0.373 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.71 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.652 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -37.62 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.83 59.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.672 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 10.06 13.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.542 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.794 HG23 ' CD2' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -165.88 173.32 10.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.041 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' H ' HG22 ' A' ' 38' ' ' THR . 17.3 m -154.4 25.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.64 133.64 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.64 172.01 35.81 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 42' ' ' VAL . 13.4 p -108.81 109.44 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 0.0 110.331 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -67.19 127.1 31.35 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.487 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -146.3 159.84 42.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.959 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.0 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.44 . . . . 0.0 111.236 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 3.0 ttpp -120.67 137.85 54.24 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.688 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.16 125.19 33.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.321 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 163.17 -61.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.381 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.24 23.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.258 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.78 84.53 0.13 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.674 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 2.7 t -133.38 140.64 47.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.97 0.414 . . . . 0.0 111.707 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -123.85 162.12 23.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.499 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 6' ' ' ILE . 65.3 m -146.59 151.34 37.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 111.347 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.55 105.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.297 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.692 HG23 ' HB3' ' A' ' 8' ' ' ASN . 2.2 m -109.47 129.27 55.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.591 -179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.718 179.645 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 p -131.19 106.41 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.489 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 20.1 m-85 -102.04 149.1 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.749 ' HG2' HG22 ' A' ' 17' ' ' ILE . 9.4 mttp -129.19 151.34 49.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.188 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.894 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 1.9 tp -130.98 118.63 20.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.871 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.7 mp -100.28 121.35 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.704 ' CD2' HD11 ' A' ' 5' ' ' LEU . 13.6 mt -112.14 130.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.871 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.769 ' C ' HD13 ' A' ' 9' ' ' LEU . 59.5 t30 -121.53 101.0 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.769 HD13 ' C ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -114.32 179.23 4.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.798 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.94 51.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.839 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.91 73.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.926 0.393 . . . . 0.0 110.464 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.3 144.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 144.93 24.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.76 132.21 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -102.44 127.93 49.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.304 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.894 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.46 135.17 50.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.133 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.749 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -138.95 157.93 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -168.76 146.26 3.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.554 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.98 109.78 19.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.0 168.31 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.8 p -93.32 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.683 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.1 t70 -171.55 -167.72 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.766 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.66 -36.41 7.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.66 -30.34 8.61 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.247 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -28.02 32.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.652 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.23 46.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -68.39 -59.91 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.501 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -54.61 -36.13 64.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -72.63 -49.35 32.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 110.634 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.2 m-85 -61.44 -42.33 98.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.94 0.4 . . . . 0.0 109.979 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.85 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.042 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -69.14 -39.15 79.02 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.661 -179.65 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.8 tp -76.17 -36.8 31.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -72.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.597 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -51.36 -27.84 10.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.923 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -70.31 -20.29 63.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.384 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -169.98 57.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 111.299 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' HG12 ' A' ' 39' ' ' VAL . 95.1 m -164.69 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.608 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.3 p 42.86 42.91 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.769 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.82 111.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.658 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 159.84 173.13 27.94 Favored Glycine 0 C--N 1.329 0.169 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.656 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 55' ' ' THR . 20.4 t -103.96 107.06 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.267 0.556 . . . . 0.0 110.13 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -65.34 119.07 10.28 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.648 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -140.06 164.65 29.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.31 143.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -109.64 132.31 54.26 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.533 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.01 118.24 26.26 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.235 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 164.21 -62.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.274 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.516 ' O ' HG22 ' A' ' 49' ' ' ILE . 15.9 mt -124.81 22.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.448 179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 7.9 mmtt 57.93 83.85 0.11 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.708 HG22 ' HB2' ' A' ' 4' ' ' LYS . 66.1 p -134.91 140.73 45.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.064 0.459 . . . . 0.0 111.659 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 8.3 m-85 -118.36 159.73 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.8 m -146.59 152.85 39.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.424 . . . . 0.0 111.39 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -135.55 102.71 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.184 179.056 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -94.39 119.89 33.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.366 -178.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.465 179.745 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.734 HG22 ' HG2' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -130.04 101.3 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.466 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.2 m-85 -85.12 148.36 26.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -129.0 148.99 51.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 7' ' ' LEU . 5.1 tp -130.14 117.64 20.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.869 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 53' ' ' THR . 42.1 mm -97.39 110.08 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 5' ' ' LEU . 1.5 mt -102.4 128.77 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.461 ' HB2' HG23 ' A' ' 55' ' ' THR . 29.6 m-20 -127.07 103.22 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.65 176.25 5.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.29 0.567 . . . . 0.0 111.085 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -22.44 22.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.57 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.43 110.14 8.09 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.471 . . . . 0.0 111.623 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.19 178.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.246 0.546 . . . . 0.0 111.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -139.25 147.33 41.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.82 139.66 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.58 120.06 40.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.278 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.55 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.692 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.33 160.81 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.423 . . . . 0.0 111.475 -179.633 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -168.8 150.58 4.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.614 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.734 ' HG2' HG22 ' A' ' 2' ' ' THR . 15.9 mt-10 -102.84 116.01 31.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 141.38 36.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.195 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -112.56 -167.1 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.21 -35.32 9.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.78 -32.71 11.55 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.136 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -79.74 -28.05 40.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.458 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -77.86 -41.0 38.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -55.63 -39.38 70.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.95 -44.47 63.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.36 . . . . 0.0 110.244 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.1 m-30 -62.72 -43.83 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.082 0.468 . . . . 0.0 109.808 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -34.36 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.008 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -38.59 79.67 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.109 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -81.76 -35.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 179.755 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -57.69 -34.8 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.335 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -66.99 -58.19 5.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.705 0.288 . . . . 0.0 111.475 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.54 18.71 9.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.663 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.42 146.07 10.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.786 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 39' ' ' VAL . 14.6 t -139.91 29.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.319 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -179.2 126.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.45 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 171.26 170.11 34.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.507 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 55' ' ' THR . 11.8 m -106.54 110.98 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.331 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -67.3 130.03 41.77 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.491 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 3.9 p -151.21 158.71 44.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.149 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.35 139.04 29.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.966 0.412 . . . . 0.0 111.256 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HB2' HG23 ' A' ' 51' ' ' THR . 2.1 mtmm -106.87 132.58 52.67 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -88.27 119.09 28.35 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.977 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 163.99 -62.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.241 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 pp -122.24 17.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.99 87.24 0.09 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.443 HG23 ' HB2' ' A' ' 46' ' ' LYS . 1.6 t -142.88 141.55 31.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 111.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m-85 -120.3 161.27 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 6' ' ' ILE . 100.0 m -146.67 148.6 32.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.613 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.65 104.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.975 179.041 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.4 m -109.9 133.12 53.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.67 -178.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.713 179.544 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.435 ' HB ' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 19' ' ' GLU . 64.4 p -89.05 123.21 33.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.435 ' CE1' ' HB ' ' A' ' 1' ' ' THR . 57.5 m-85 -109.6 145.65 36.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -133.25 150.66 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 6' ' ' ILE . 1.5 tp -129.73 130.8 45.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.093 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.879 ' N ' HD12 ' A' ' 5' ' ' LEU . 34.7 mm -107.31 107.37 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.641 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 5' ' ' LEU . 7.1 mt -98.43 127.38 44.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.32 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -127.18 101.11 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 11' ' ' GLN . 0.7 OUTLIER -114.41 179.39 3.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.873 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.04 46.4 1.32 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' N ' HD12 ' A' ' 9' ' ' LEU . 11.9 tt0 179.67 78.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.457 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.89 139.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 149.16 21.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.29 135.52 48.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.775 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.85 125.7 53.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 111.26 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.57 140.2 43.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.227 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 pt -152.05 151.02 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 0.0 111.728 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.79 140.35 2.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HB3' HG22 ' A' ' 2' ' ' THR . 9.6 pt-20 -99.98 121.01 40.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.64 151.48 49.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.15 -46.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.144 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -104.18 -168.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.29 -32.9 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.329 . . . . 0.0 111.115 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.88 -28.09 7.02 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.311 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -78.56 -30.76 47.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.27 -39.22 65.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.796 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.91 -59.7 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.661 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -56.48 -41.2 76.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.14 -51.33 61.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.41 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.46 ' O ' HG22 ' A' ' 33' ' ' ILE . 7.5 m-30 -60.98 -42.49 98.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.178 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -30.47 68.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -73.45 -38.31 65.53 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.633 0.254 . . . . 0.0 111.471 -179.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -79.2 -33.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.942 0.401 . . . . 0.0 111.046 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -33.24 64.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.362 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.71 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.734 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -98.31 -31.88 11.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.92 165.84 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.3 m -138.69 64.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.7 109.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 171.92 174.86 39.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.533 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.1 m -106.02 110.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 0.0 110.631 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -70.49 127.75 33.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.296 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.518 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -149.36 154.56 39.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.124 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 2.0 t80 -143.16 141.78 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 111.292 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.7 126.58 50.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -73.78 -12.89 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.474 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.81 -33.41 7.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -160.46 27.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.344 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 51.95 89.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.193 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -160.18 136.3 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.556 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.88 161.95 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.521 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' ILE . 69.9 m -146.66 151.19 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.58 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.57 103.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.131 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.47 ' HB ' HG22 ' A' ' 42' ' ' VAL . 4.9 m -108.4 130.3 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.599 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.623 179.638 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 t -101.69 117.35 34.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 62.4 m-85 -102.66 149.06 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 51' ' ' THR . 0.9 OUTLIER -134.31 149.21 50.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 tp -130.68 127.95 39.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.136 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.703 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.4 mp -111.47 124.75 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.629 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 54' ' ' VAL . 2.3 mt -111.12 130.98 55.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.566 ' HB2' HG23 ' A' ' 55' ' ' THR . 5.1 m120 -126.97 110.12 12.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.621 HD21 ' CB ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -113.52 178.21 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -90.08 52.16 2.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.057 0.456 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.46 -40.6 0.01 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.384 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.36 177.67 10.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.084 0.469 . . . . 0.0 111.078 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.21 153.94 47.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -143.71 141.51 30.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -117.31 126.38 52.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.52 140.85 42.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.164 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -151.93 149.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.07 0.462 . . . . 0.0 111.835 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -168.85 152.67 5.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.583 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -105.61 114.17 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.93 167.84 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.339 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -93.28 20.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.755 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 2.8 m-20 -170.53 -87.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.797 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 22' ' ' ASP . . . 171.97 -38.35 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.029 0.442 . . . . 0.0 110.973 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.43 -29.11 7.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.616 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.56 -27.65 37.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.582 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -39.77 59.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.541 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.8 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.494 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -55.35 -38.04 68.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -72.85 -43.82 62.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.037 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.6 m-30 -62.5 -41.82 99.09 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.69 -33.14 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.574 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.62 -38.58 70.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.387 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.9 tp -78.49 -34.49 18.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.68 1.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -27.72 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.488 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.18 -17.73 32.0 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -30.25 10.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 111.208 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.621 ' CB ' HD21 ' A' ' 9' ' ' LEU . 1.6 t -150.76 174.3 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.967 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.8 t -152.01 47.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.26 117.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.429 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.75 172.83 36.7 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.372 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 55' ' ' THR . 10.7 m -102.54 112.12 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.083 0.468 . . . . 0.0 110.558 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -72.24 90.08 1.22 Allowed 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.597 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.7 p -106.82 153.46 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 2.2 t80 -143.34 145.71 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 0.0 111.069 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -120.45 140.68 51.03 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.8 m-20 -87.74 172.45 9.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 3.2 mm-40 85.49 -34.03 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.77 0.669 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.62 -17.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.235 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 2.7 mmtt 62.63 79.57 0.25 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.817 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 4' ' ' LYS . 98.4 m -148.72 137.93 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.018 0.437 . . . . 0.0 111.696 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -114.87 159.53 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.444 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 6' ' ' ILE . 85.4 m -146.52 148.78 32.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.654 0.264 . . . . 0.0 111.16 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.583 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -126.13 103.27 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.31 0.576 . . . . 0.0 110.293 179.404 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 8' ' ' ASN . 1.2 m -108.52 129.62 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.54 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--O 1.256 1.409 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.823 179.698 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.79 107.02 15.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 53.4 m-85 -80.28 149.08 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.774 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -133.44 149.8 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.072 0.463 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 7' ' ' LEU . 2.4 tp -127.06 131.86 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.832 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.807 ' N ' HD12 ' A' ' 5' ' ' LEU . 44.8 mm -107.29 110.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 5' ' ' LEU . 3.4 mt -102.94 120.7 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.949 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -127.02 106.53 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.29 179.07 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -83.65 62.15 6.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -177.86 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.085 0.469 . . . . 0.0 111.453 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.24 158.76 33.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.33 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -110.26 123.0 48.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -110.02 141.87 42.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.79 179.613 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.37 126.93 52.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.798 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.7 140.18 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.184 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 pt -152.04 154.44 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 111.628 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -168.82 136.7 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.547 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -92.61 109.39 20.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.68 139.23 36.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.5 m -59.8 -46.45 93.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.339 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' HG23 ' A' ' 21' ' ' VAL . 11.3 p-10 -101.54 -168.8 1.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.06 -30.91 7.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.289 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -35.29 14.1 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.3 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -78.67 -27.85 45.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.95 -38.32 45.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.692 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.64 -59.65 3.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.79 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -39.33 71.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.25 -49.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.507 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.6 m-85 -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.986 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -31.39 67.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -72.09 -38.5 69.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.211 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -79.85 -33.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.09 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -54.74 -32.2 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.51 -24.84 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.84 -35.03 14.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.29 -175.48 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 39' ' ' VAL . 17.3 t -150.18 40.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.2 128.44 0.87 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.218 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.573 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 167.34 172.1 34.12 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 55' ' ' THR . 22.0 t -105.64 107.85 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.484 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -69.62 128.69 37.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.401 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 2.2 p -151.14 156.35 40.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 2.9 t80 -143.39 142.8 31.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.071 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -120.38 142.83 48.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.821 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.1 t0 -86.68 178.52 7.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 1.9 mm-40 85.16 -34.44 0.05 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.718 HD12 ' CG2' ' A' ' 51' ' ' THR . 1.5 pt -130.68 -5.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.639 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.41 87.43 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.715 0.293 . . . . 0.0 111.306 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.718 ' CG2' HD12 ' A' ' 49' ' ' ILE . 26.4 p -155.14 139.18 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.701 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.8 163.26 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.421 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 6' ' ' ILE . 81.4 m -146.23 151.29 37.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.156 -0.34 . . . . 0.0 111.65 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.573 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -135.65 103.25 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.375 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.9 m -104.69 125.64 50.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.51 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.601 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.744 0.306 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -140.19 134.09 30.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.595 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 26.8 m-85 -122.03 149.96 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' CB ' HG22 ' A' ' 17' ' ' ILE . 5.0 mttt -132.71 150.13 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 6' ' ' ILE . 5.8 tp -131.0 123.78 29.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.977 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 5' ' ' LEU . 30.9 mm -103.18 112.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 14' ' ' GLU . 2.8 mt -98.89 124.6 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.713 ' HB3' HG22 ' A' ' 55' ' ' THR . 7.6 t-20 -127.2 101.13 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -110.94 178.84 4.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -88.34 55.96 3.63 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.763 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -167.13 -49.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.221 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.72 -169.34 2.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.17 139.05 49.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.35 0.595 . . . . 0.0 110.709 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -133.38 135.4 44.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -114.97 127.03 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.05 133.03 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.459 HG22 ' CB ' ' A' ' 4' ' ' LYS . 10.3 pt -151.7 148.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HE2' ' CZ ' ' A' ' 29' ' ' TYR . 2.1 ttpp -168.93 145.19 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.509 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 2.4 mt-10 -89.96 128.6 36.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.47 157.27 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 22' ' ' ASP . 3.2 p -62.51 -49.74 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' N ' HG13 ' A' ' 21' ' ' VAL . 6.6 p-10 -119.73 -167.47 1.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.755 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . . . -94.92 -34.03 12.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.065 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.99 -29.93 8.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.395 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -80.59 -28.9 36.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.857 0.361 . . . . 0.0 110.573 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -79.29 -42.9 24.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.611 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.41 -60.93 2.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.211 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -36.65 65.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.278 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CZ ' ' HE2' ' A' ' 18' ' ' LYS . 39.8 t80 -75.98 -38.77 57.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.883 0.373 . . . . 0.0 110.263 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.0 m-30 -67.11 -43.36 82.67 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HD3' HD22 ' A' ' 35' ' ' ASN . 6.5 tmtt? -60.53 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.954 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -59.58 -41.86 91.16 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.279 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.851 HD11 ' NZ ' ' A' ' 37' ' ' LYS . 9.9 tp -74.59 -29.9 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.905 0.384 . . . . 0.0 110.803 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' THR . . . -58.73 -72.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.529 HD22 ' HD3' ' A' ' 31' ' ' LYS . 1.1 p30 -64.22 -12.64 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -79.32 -20.51 47.72 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.851 ' NZ ' HD11 ' A' ' 33' ' ' ILE . 2.1 ptpp? -144.3 -38.89 0.29 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.519 HG21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -92.9 176.19 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -173.76 131.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.106 0.479 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.07 123.92 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.499 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.61 173.1 36.85 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.78 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 55' ' ' THR . 23.8 t -107.39 107.29 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.117 0.484 . . . . 0.0 110.518 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -67.93 112.03 4.71 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.591 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -130.86 160.13 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.201 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.43 147.5 34.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD3' HG23 ' A' ' 51' ' ' THR . 13.6 mtpt -117.89 133.55 55.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.99 121.5 29.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 pt-20 163.27 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.385 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 49' ' ' ILE . 24.3 mm -124.48 20.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.371 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.89 86.99 0.08 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.554 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.459 HG23 ' HD3' ' A' ' 46' ' ' LYS . 3.5 t -140.36 143.73 35.9 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.95 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.9 m-85 -124.69 160.44 28.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.45 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 6' ' ' ILE . 66.3 m -146.59 153.19 40.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.562 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.6 103.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.347 0.594 . . . . 0.0 110.177 179.236 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.713 HG22 ' HB3' ' A' ' 8' ' ' ASN . 4.2 p -106.58 128.56 54.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.732 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.973 179.648 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.69 0.281 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 t -101.54 132.13 47.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.749 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 31.7 m-85 -118.91 149.52 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HA ' HG22 ' A' ' 17' ' ' ILE . 52.2 mttt -130.45 150.17 51.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.96 0.41 . . . . 0.0 111.186 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.77 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.8 tp -130.91 133.66 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.228 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.77 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.4 mp -105.06 115.23 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.594 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.726 HD23 HG12 ' A' ' 54' ' ' VAL . 62.6 mt -103.91 127.85 51.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.329 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -122.07 101.27 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.791 HD21 HG22 ' A' ' 38' ' ' THR . 1.1 mt -112.99 179.28 4.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -88.92 46.03 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.002 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -179.73 83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.85 147.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -89.11 136.57 32.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -123.24 144.62 49.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -124.14 125.51 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.5 138.38 45.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 4' ' ' LYS . 10.3 pt -151.93 161.73 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.018 0.437 . . . . 0.0 111.67 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.809 ' HE2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -168.8 166.08 11.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.998 -179.286 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.56 129.19 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.809 ' HB2' ' HE2' ' A' ' 18' ' ' LYS . . . -139.82 178.98 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -92.28 20.81 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.834 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.45 -165.48 0.33 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.749 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -109.25 -40.67 4.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.531 0.205 . . . . 0.0 111.066 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.52 -29.08 11.02 Favored Glycine 0 CA--C 1.511 -0.216 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.89 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -75.4 -29.93 59.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.484 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.53 -36.6 63.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.4 tt0 -68.3 -74.76 0.12 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.42 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.09 -30.57 1.94 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.759 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.411 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 9.9 t80 -78.83 -45.55 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.8 m-30 -63.36 -40.85 98.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -40.24 89.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.87 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.12 -41.14 92.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.966 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.3 tp -77.59 -29.41 16.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.802 0.334 . . . . 0.0 110.83 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.38 -64.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -25.17 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.873 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.35 -67.49 0.79 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.83 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -69.41 -30.18 68.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.966 -179.114 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 37' ' ' LYS . 17.6 p -118.6 176.57 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.196 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.625 ' O ' HG22 ' A' ' 39' ' ' VAL . 13.9 p -166.63 31.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.82 124.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.967 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.702 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.21 169.57 32.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.925 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 55' ' ' THR . 3.8 t -102.03 107.66 22.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.294 0.569 . . . . 0.0 109.967 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -69.44 126.82 30.93 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.719 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.481 HG22 ' HB ' ' A' ' 53' ' ' THR . 7.3 t -151.6 155.16 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 1.3 t80 -143.4 147.99 35.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 111.191 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.55 137.84 54.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.632 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 4.8 t0 -88.07 166.91 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.2 tp10 90.94 -33.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.358 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.27 -15.96 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 61.46 80.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -151.5 141.21 21.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.723 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.529 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -114.94 163.76 15.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.431 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.481 ' HB ' HG22 ' A' ' 44' ' ' THR . 62.5 m -146.39 150.94 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.841 0.353 . . . . 0.0 111.551 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.726 HG12 HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -135.64 100.58 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.206 0.527 . . . . 0.0 110.43 179.139 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 26.6 m -94.96 117.61 30.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.684 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.724 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.5 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.4 HG23 ' CB ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -95.06 130.21 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 24.5 m-85 -120.49 146.63 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.549 ' HB2' HG22 ' A' ' 51' ' ' THR . 12.3 mttp -125.51 148.98 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.188 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 6' ' ' ILE . 1.7 tp -127.63 131.48 49.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.181 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.871 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.4 mp -111.68 107.59 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.833 HD21 HD21 ' A' ' 5' ' ' LEU . 1.1 mt -97.99 123.68 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.25 104.15 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -95.0 179.44 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -47.39 7.87 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.16 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 13.8 tt0 -144.6 66.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 111.65 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.742 ' HB3' HD11 ' A' ' 9' ' ' LEU . . . 168.4 152.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.27 124.51 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.82 135.49 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.639 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -111.78 117.07 31.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.273 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.49 130.41 55.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.697 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.1 152.54 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 111.556 -179.412 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.86 152.81 5.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.562 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' CB ' HG23 ' A' ' 2' ' ' THR . 7.2 tm-20 -112.45 137.61 50.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.8 177.07 8.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 111.339 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 22' ' ' ASP . 28.3 m -64.09 -47.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.844 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.492 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.1 m-20 -121.76 -75.17 0.6 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.34 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.672 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -178.45 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.04 -29.52 3.42 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -32.4 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.1 63.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 110.707 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.7 tt0 -64.74 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -47.5 -30.01 3.17 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.484 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.1 t80 -78.04 -46.86 19.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.7 m-30 -62.57 -40.89 98.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -60.43 -37.05 79.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.935 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.37 -39.43 93.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.284 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -76.55 -34.39 24.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.387 . . . . 0.0 110.544 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.12 -59.41 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.374 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.611 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -55.69 -33.73 64.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.836 179.657 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.1 6.15 47.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.425 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -101.59 -37.34 8.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.143 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -176.27 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.39 0.138 . . . . 0.0 111.219 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG22 ' HA ' ' A' ' 35' ' ' ASN . 13.8 t 74.58 63.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.95 118.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 164.53 175.86 35.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.617 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.6 m -107.13 111.08 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.174 0.512 . . . . 0.0 110.534 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -66.68 113.57 4.92 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.164 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.2 p -134.07 164.58 27.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.43 36.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.026 0.441 . . . . 0.0 111.1 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -115.39 131.56 56.89 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.648 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 12.7 t70 -88.75 121.55 31.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.111 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 2.4 mm-40 155.55 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.466 0.707 . . . . 0.0 110.279 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 49' ' ' ILE . 1.9 mp -130.18 16.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 178.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 57.1 86.37 0.07 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 4' ' ' LYS . 76.9 p -140.03 129.21 23.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.997 0.427 . . . . 0.0 111.719 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 3.9 m-85 -106.31 158.85 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 6' ' ' ILE . 92.7 m -146.55 151.44 37.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.987 0.422 . . . . 0.0 111.37 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.575 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -133.64 101.73 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.124 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' HG22 ' A' ' 42' ' ' VAL . 3.0 m -103.2 129.24 50.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.641 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.673 179.702 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.762 0.315 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 p -114.29 142.41 46.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.499 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.2 m-85 -122.23 149.9 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.616 ' CG ' HG22 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -125.83 151.3 47.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.061 0.458 . . . . 0.0 110.985 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 6' ' ' ILE . 6.5 tp -133.31 129.7 37.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.149 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 5' ' ' LEU . 39.6 mm -103.39 107.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.926 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.506 HD21 HD21 ' A' ' 5' ' ' LEU . 17.7 mt -95.19 123.51 38.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.202 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 101.28 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.922 HD21 ' HB3' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -105.36 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG2' HD12 ' A' ' 9' ' ' LEU . 5.6 pttp -40.84 -53.88 2.79 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.053 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -143.54 73.71 1.4 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.392 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.922 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . 169.02 146.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.047 0.451 . . . . 0.0 111.147 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -136.76 107.27 6.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -118.09 150.59 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.18 128.62 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.46 138.76 45.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.196 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.616 HG22 ' CG ' ' A' ' 4' ' ' LYS . 4.8 pt -145.98 162.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.997 0.427 . . . . 0.0 111.783 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -168.83 140.64 2.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.642 -179.358 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.13 116.1 31.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.88 171.21 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -92.34 20.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.691 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.4 t0 -174.17 -166.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 110.666 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.58 -37.98 7.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.244 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.47 -32.96 10.92 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.566 -0.825 . . . . 0.0 112.227 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -80.79 -27.83 36.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.582 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.48 -41.32 27.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.597 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.06 -58.77 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -55.02 -39.23 68.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 18' ' ' LYS . 32.6 t80 -71.78 -43.28 65.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.14 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-30 -63.28 -43.55 97.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.135 0.493 . . . . 0.0 109.745 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -34.5 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.082 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.66 -38.64 77.17 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.197 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.1 tp -81.43 -36.47 14.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.823 0.344 . . . . 0.0 110.983 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -62.22 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.83 -23.85 64.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.551 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -99.83 -31.95 11.25 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 -177.37 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.954 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -153.56 37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -174.78 135.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.582 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 162.33 172.83 30.27 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.595 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 55' ' ' THR . 5.3 t -101.81 107.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.152 0.501 . . . . 0.0 110.054 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -69.36 118.94 12.88 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.5 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -142.64 165.7 26.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.164 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.31 131.63 22.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.123 0.487 . . . . 0.0 111.349 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -92.92 128.9 38.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.42 113.48 24.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 165.88 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 51' ' ' THR . 1.4 pt -117.68 17.3 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.605 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 61.0 90.55 0.06 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.997 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.582 HG22 ' HB2' ' A' ' 4' ' ' LYS . 80.4 p -149.23 146.16 27.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 0.0 112.017 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 2.4 m-85 -120.61 160.93 22.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.082 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 6' ' ' ILE . 55.4 m -146.68 152.41 38.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 111.576 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.585 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.66 100.64 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.082 179.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 p -101.02 124.67 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.584 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.714 179.716 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -94.15 136.13 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 59.4 m-85 -126.58 148.74 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 51' ' ' THR . 6.2 mttm -133.01 149.69 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.0 tp -132.28 128.02 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.372 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 5' ' ' LEU . 36.0 mm -102.01 107.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.476 HD23 HG12 ' A' ' 54' ' ' VAL . 11.5 mt -98.34 119.52 37.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.232 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -124.01 100.64 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 179.34 3.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -82.71 50.37 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.31 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.434 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.16 168.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HE3' HG23 ' A' ' 6' ' ' ILE . 52.7 tttt -117.74 140.57 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.13 143.89 50.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -118.09 137.74 52.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -116.82 138.04 51.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.394 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 pt -152.09 153.08 10.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 111.602 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.89 142.51 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.641 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.77 110.73 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.01 177.21 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.8 t -92.38 20.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.695 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.06 -165.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.695 0.283 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.58 -35.46 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.17 -31.25 11.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.088 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -80.26 -28.01 38.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.477 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.56 -39.08 53.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.674 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.16 -61.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -55.12 -34.54 63.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.45 -43.47 39.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.775 0.321 . . . . 0.0 110.184 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' O ' HG22 ' A' ' 33' ' ' ILE . 6.2 m-30 -63.86 -42.09 97.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -37.43 80.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.03 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.29 -37.86 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.249 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.3 tp -79.81 -31.61 13.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.36 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.746 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -35.72 67.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.7 62.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -85.13 -33.54 22.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -172.21 -176.59 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.526 ' O ' HG22 ' A' ' 39' ' ' VAL . 11.0 p -151.18 55.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -165.82 117.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.784 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 166.64 172.15 33.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.62 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 42' ' ' VAL . 30.4 m -102.81 110.95 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.214 0.53 . . . . 0.0 110.347 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -71.81 105.97 3.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.486 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 17.0 p -123.0 155.51 36.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.011 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.31 143.51 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.638 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -114.93 144.71 43.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.264 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -95.59 -9.1 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 49' ' ' ILE . 2.4 mp0 -57.75 -33.83 68.89 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.339 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -158.32 32.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 4.8 mmtt 48.87 88.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.22 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.2 m -153.57 133.27 13.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -110.21 161.42 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.555 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' ILE . 64.0 m -146.71 152.29 38.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.418 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.9 101.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.071 179.229 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.43 ' HB ' HG22 ' A' ' 42' ' ' VAL . 1.1 m -106.16 127.44 53.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.517 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.942 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.445 HG23 ' CB ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -129.73 119.82 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.441 ' CE2' ' HD3' ' A' ' 50' ' ' LYS . 41.2 m-85 -115.95 149.42 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.813 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -133.73 149.29 51.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 111.161 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.3 tp -124.95 121.92 35.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.154 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.7 mp -100.65 115.69 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.14 125.7 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -126.08 101.3 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 12' ' ' ALA . 1.4 mt -106.18 179.0 4.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -55.77 -46.31 77.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.261 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.15 58.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.983 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.779 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -177.23 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.103 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -97.8 120.16 37.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.722 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.52 142.19 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -103.37 130.84 50.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.58 140.79 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.485 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.49 HG22 ' HG2' ' A' ' 4' ' ' LYS . 10.1 pt -151.94 147.94 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 0.0 111.589 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.85 140.4 2.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.543 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' CB ' HG23 ' A' ' 2' ' ' THR . 0.4 OUTLIER -104.47 120.11 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.5 171.57 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.9 p -93.33 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.6 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -169.22 -166.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.658 0.266 . . . . 0.0 110.817 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.42 -38.73 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.25 -28.52 8.85 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.131 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -80.76 -29.29 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.486 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.06 -39.77 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.24 -60.28 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.437 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -54.96 -36.69 65.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -73.04 -48.39 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.534 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.52 ' O ' HG22 ' A' ' 33' ' ' ILE . 7.0 m-30 -61.6 -42.64 99.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.877 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -34.27 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -68.42 -37.86 80.68 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.285 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.8 tp -80.16 -36.7 16.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.95 -69.06 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -33.44 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -59.97 -24.64 64.58 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.372 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -153.01 43.76 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -165.33 117.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.39 27.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.325 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 179.35 119.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.592 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . -178.75 165.34 34.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.645 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 55' ' ' THR . 10.8 t -108.28 105.88 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.243 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -64.91 127.3 30.99 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.524 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.415 ' CG2' ' HB ' ' A' ' 53' ' ' THR . 8.3 t -151.45 167.5 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.392 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.29 139.3 30.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.046 0.45 . . . . 0.0 111.265 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.55 135.16 44.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.14 118.11 28.61 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.37 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.169 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.7 mt -124.94 24.65 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 3' ' ' TYR . 1.5 mmpt? 58.57 88.9 0.06 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.621 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.813 HG22 ' HB2' ' A' ' 4' ' ' LYS . 17.5 p -141.2 147.02 37.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.195 0.522 . . . . 0.0 112.212 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 5.7 m-85 -123.23 156.9 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.929 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 6' ' ' ILE . 86.8 m -146.37 153.23 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.419 . . . . 0.0 111.603 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.592 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -135.25 106.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.196 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.863 ' O ' HG23 ' A' ' 42' ' ' VAL . 56.6 m -109.99 127.79 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.439 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.786 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.751 0.31 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.718 HG22 ' CG ' ' A' ' 19' ' ' GLU . 17.3 p -102.22 115.07 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -103.64 141.87 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HG2' HG22 ' A' ' 17' ' ' ILE . 7.9 mtmm -123.2 151.34 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.137 0.494 . . . . 0.0 111.104 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.786 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 5.4 tp -130.16 124.24 32.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.072 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 5' ' ' LEU . 43.4 mm -103.27 109.23 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.988 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.628 HD23 HG12 ' A' ' 54' ' ' VAL . 3.5 mt -100.54 125.97 46.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.197 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.662 ' HB3' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -127.25 101.39 6.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.48 178.9 4.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.031 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 66.81 4.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.71 -46.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.68 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -91.95 124.72 36.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 110.697 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.97 136.53 53.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -111.11 123.42 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.422 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.786 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.47 135.9 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.318 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.608 HG22 ' HG2' ' A' ' 4' ' ' LYS . 5.2 pt -146.06 155.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.057 0.456 . . . . 0.0 111.543 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -168.75 134.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.584 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.718 ' CG ' HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -108.13 114.32 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.9 168.44 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.8 t -92.46 20.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -159.39 -165.43 1.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.761 0.315 . . . . 0.0 110.772 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.13 -41.18 2.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.09 -31.08 10.77 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.904 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -29.27 39.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.365 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.386 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.07 -61.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.521 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.23 -36.3 63.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -71.62 -51.8 21.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.2 m-85 -60.27 -42.85 96.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.993 0.425 . . . . 0.0 109.921 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -57.58 -32.34 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.006 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.43 -38.62 71.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.9 tp -81.75 -35.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 110.757 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -63.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -37.28 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.32 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.1 61.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.697 0.284 . . . . 0.0 111.632 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -100.26 -28.79 12.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 179.15 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 39' ' ' VAL . 18.4 t -149.09 37.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -176.42 134.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.574 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 163.58 169.52 27.18 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.579 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.9 m -103.23 108.87 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.229 0.537 . . . . 0.0 110.367 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -70.81 126.86 30.75 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.465 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 22.6 p -147.57 147.21 29.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.207 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.432 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 17.8 t80 -143.07 138.62 30.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.114 0.483 . . . . 0.0 111.565 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.428 ' CD ' ' HB3' ' A' ' 48' ' ' GLU . 4.0 ttmt -120.72 124.96 46.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.169 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -25.06 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB3' ' CD ' ' A' ' 46' ' ' LYS . 18.4 tp10 -52.93 -34.56 55.92 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.084 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.555 ' O ' HG22 ' A' ' 49' ' ' ILE . 20.6 mt -128.78 0.86 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.54 69.18 0.75 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.015 0.436 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 4.7 p -152.61 142.47 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 111.461 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -106.03 162.96 13.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.596 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 6' ' ' ILE . 86.9 m -146.62 148.13 31.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.799 0.333 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.58 102.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.252 0.548 . . . . 0.0 110.428 179.352 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.662 HG23 ' HB3' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -103.72 125.32 50.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.526 -179.155 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.698 179.802 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.796 0.331 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 19' ' ' GLU . 7.1 m -140.07 113.93 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.1 m-85 -104.78 148.75 26.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.88 149.03 51.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.776 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.5 tp -132.89 129.54 38.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.054 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.8 mp -104.6 111.72 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.737 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.85 127.42 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -126.9 101.16 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.786 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.697 ' HB3' HG21 ' A' ' 38' ' ' THR . 0.8 OUTLIER -114.74 179.27 4.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -82.15 54.06 2.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.663 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 171.85 86.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.231 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.78 171.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -117.51 136.36 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.42 136.8 54.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.734 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -111.9 127.37 55.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.237 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.58 132.25 54.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.686 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.12 152.21 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.41 . . . . 0.0 111.517 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 8.0 tttp -168.94 144.3 3.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.698 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.487 ' HG2' HG23 ' A' ' 2' ' ' THR . 20.9 mt-10 -96.79 121.98 39.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.9 142.95 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.3 m -59.77 -46.55 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.49 ' N ' HG23 ' A' ' 21' ' ' VAL . 54.8 p-10 -112.68 -167.35 1.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.764 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.84 -34.53 9.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.738 0.304 . . . . 0.0 111.243 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -33.36 10.84 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.174 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -80.92 -28.63 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.86 -41.57 43.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.45 -59.64 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -55.38 -37.14 67.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 14.6 t80 -72.89 -49.37 30.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.5 m-85 -61.11 -43.85 98.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -57.92 -35.21 70.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -66.55 -39.89 88.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.164 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.8 tp -78.42 -37.39 21.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.839 0.352 . . . . 0.0 110.804 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.96 -63.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.848 ' O ' HG22 ' A' ' 39' ' ' VAL . 1.6 m120 -55.08 -28.38 51.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 -0.14 57.44 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -37.59 7.22 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.666 0.246 . . . . 0.0 111.666 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.697 HG21 ' HB3' ' A' ' 9' ' ' LEU . 14.6 p -140.15 -42.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.608 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 35' ' ' ASN . 5.6 t 78.7 31.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.872 0.367 . . . . 0.0 111.0 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.66 146.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.829 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.449 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 157.07 178.07 30.79 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.73 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 55' ' ' THR . 6.5 t -107.51 106.45 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.022 0.439 . . . . 0.0 110.208 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -65.07 129.15 38.66 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.501 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.37 154.24 36.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.263 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.25 146.85 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.07 0.462 . . . . 0.0 111.17 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 8.1 ttpt -119.71 136.89 54.24 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.741 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 3.3 t0 -87.79 123.48 32.63 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.562 ' HG2' HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER 164.12 -61.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.674 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.4 mt -128.49 22.3 2.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.052 0.454 . . . . 0.0 110.077 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.3 84.39 0.11 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.41 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 3.0 t -134.35 143.88 47.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.104 0.478 . . . . 0.0 111.941 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -129.57 158.49 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.264 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 6' ' ' ILE . 94.2 m -146.54 149.54 33.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.561 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.64 104.26 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.087 179.187 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 42' ' ' VAL . 33.5 m -102.02 125.86 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.583 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.745 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.834 0.35 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.464 HG22 ' HG3' ' A' ' 19' ' ' GLU . 39.4 p -97.45 88.39 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 61.4 m-85 -74.18 147.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HG2' HG22 ' A' ' 17' ' ' ILE . 9.8 mttp -126.31 149.68 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.599 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.8 tp -133.13 120.45 21.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.8 mp -96.92 107.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 54' ' ' VAL . 4.4 mt -101.46 131.01 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.072 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.12 100.99 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.491 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.92 167.58 10.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.13 -25.01 29.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.428 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.37 90.92 3.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.791 0.329 . . . . 0.0 111.074 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 54.57 173.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.267 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -111.27 134.11 53.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.675 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.52 144.71 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -117.8 132.23 56.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.67 139.82 44.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.404 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.437 HG22 ' HG2' ' A' ' 4' ' ' LYS . 6.1 pt -152.1 150.12 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.578 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -168.89 141.48 2.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.673 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HG3' HG22 ' A' ' 2' ' ' THR . 7.5 tt0 -102.76 117.7 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.74 177.11 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -92.3 20.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.649 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -178.04 -165.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.285 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.47 -37.82 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.37 -29.65 10.92 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.142 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -28.44 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.341 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.65 49.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.588 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.77 -58.9 4.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -56.24 -38.16 70.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.826 0.346 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.628 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.9 m-30 -61.33 -43.26 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -36.34 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.061 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.99 -41.31 95.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.688 0.28 . . . . 0.0 111.258 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.5 tp -74.45 -29.99 25.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -68.39 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.736 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -20.36 37.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.456 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.54 -23.96 29.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.56 0.219 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.612 ' O ' HG23 ' A' ' 38' ' ' THR . 0.7 OUTLIER -102.61 -31.93 10.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 120.746 0.308 . . . . 0.0 111.333 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -165.94 -177.3 4.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.809 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.6 p -153.52 63.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.252 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.71 123.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 164.74 172.5 32.28 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.682 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 55' ' ' THR . 7.7 t -104.51 107.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 110.415 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -69.88 128.02 34.92 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.482 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 7.2 t -151.51 159.58 44.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.1 t80 -143.26 143.0 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.11 0.481 . . . . 0.0 111.459 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -120.64 133.46 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.45 -4.54 51.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.685 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -51.27 -35.32 36.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.096 0.474 . . . . 0.0 111.356 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -162.85 28.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.16 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 56.54 85.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.039 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -157.22 138.94 14.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 111.417 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.74 164.83 11.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.305 179.621 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 6' ' ' ILE . 67.7 m -146.56 150.7 36.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.51 103.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.294 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 m -103.13 125.45 49.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.38 -178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.585 179.751 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.93 0.395 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -95.53 131.19 41.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 28.5 m-85 -116.3 149.17 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -130.27 149.95 51.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.782 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.837 HD21 HD21 ' A' ' 7' ' ' LEU . 5.9 tp -132.98 134.05 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.3 mp -110.13 108.52 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.661 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.847 HD23 HG12 ' A' ' 54' ' ' VAL . 11.7 mt -103.18 131.08 50.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.237 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 105.42 8.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.16 178.93 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -78.63 63.5 3.44 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -178.26 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.47 -169.55 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 124.75 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 127.37 55.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.7 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -100.18 126.52 46.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 111.035 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.48 131.08 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.614 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.691 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -138.84 150.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.385 -179.678 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -168.82 144.28 3.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.763 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.07 125.94 40.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.52 161.64 37.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 22' ' ' ASP . 30.8 m -59.82 -46.39 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.31 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' N ' HG23 ' A' ' 21' ' ' VAL . 11.9 m-20 -131.52 -165.02 1.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.75 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.63 -34.51 18.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.238 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.19 10.81 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.186 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -79.68 -29.34 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.48 -42.97 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.51 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.82 -54.42 39.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.97 75.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.303 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.53 -45.29 46.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.861 0.363 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.641 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.2 m-30 -61.47 -43.12 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -58.85 -37.43 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.913 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -62.97 -41.13 99.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.115 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -76.15 -28.37 18.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.9 0.381 . . . . 0.0 111.005 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.54 -71.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.72 -20.67 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.761 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.73 -67.68 0.74 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.871 0.367 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' HD2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.9 -25.53 64.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.184 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -134.76 172.12 13.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -148.79 31.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.302 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.7 142.42 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.578 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 162.37 171.74 28.92 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 55' ' ' THR . 11.5 t -105.37 107.64 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.093 0.473 . . . . 0.0 110.329 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.13 129.2 39.0 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.531 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.1 p -151.22 157.69 42.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.195 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.43 148.63 36.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 111.24 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 9.4 ttpt -117.9 132.13 56.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.581 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 8.7 t70 -88.6 123.15 32.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.0 mm-40 154.77 -51.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.1 pp -128.66 15.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.843 0.354 . . . . 0.0 110.504 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 8.2 mmtt 57.86 82.7 0.12 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 2.3 t -138.41 138.54 38.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 111.71 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -119.51 161.45 20.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.343 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 6' ' ' ILE . 91.4 m -146.55 149.77 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 111.487 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.847 HG12 HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -135.72 103.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.118 179.017 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -103.85 125.81 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.495 -178.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.692 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.6 105.58 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 57.4 m-85 -102.6 148.93 24.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -136.5 150.15 48.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 0.0 111.053 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.6 tp -126.5 127.93 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.002 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.738 ' N ' HD12 ' A' ' 5' ' ' LEU . 44.5 mm -104.17 112.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.575 HD22 ' HD2' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -99.48 130.96 45.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.016 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.21 101.53 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.717 HD21 ' HB ' ' A' ' 38' ' ' THR . 1.3 mt -113.62 157.98 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -39.33 70.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -61.59 2.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.78 -175.46 5.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -113.91 139.28 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.7 144.28 51.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -109.83 123.52 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.98 0.419 . . . . 0.0 111.368 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.56 133.25 53.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.6 157.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.024 0.44 . . . . 0.0 111.528 -179.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.81 144.11 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.6 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -110.54 114.89 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 161.37 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.28 20.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.682 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -162.6 -165.83 1.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.729 0.3 . . . . 0.0 110.684 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.25 -38.3 3.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.05 -30.81 10.19 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.099 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -81.37 -27.95 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.6 49.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.995 0.426 . . . . 0.0 110.639 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.05 -59.95 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.457 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -54.95 -37.25 66.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -71.95 -52.33 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.544 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.0 m-85 -59.94 -42.24 93.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.884 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -40.28 79.2 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.27 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.2 tp -75.9 -37.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.869 0.366 . . . . 0.0 110.532 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.83 -73.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.476 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.871 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -51.37 -26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.63 7.28 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.762 ' HG3' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -147.59 15.93 1.12 Allowed 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.762 HG22 ' HG3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER 176.61 -76.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 111.588 179.227 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.871 HG22 ' HA ' ' A' ' 35' ' ' ASN . 3.8 t 79.86 33.7 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -164.43 128.24 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 156.05 -179.7 31.76 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 55' ' ' THR . 10.5 t -104.51 107.65 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.276 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -68.52 129.66 40.56 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.597 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.492 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.28 147.86 27.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.103 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 4.0 t80 -143.12 139.97 30.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 111.47 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -120.44 118.66 30.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.377 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -17.8 62.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.423 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.92 -29.79 57.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.707 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.46 HD12 ' OG1' ' A' ' 51' ' ' THR . 1.4 pt -145.9 18.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 47.04 78.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.901 0.382 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 4' ' ' LYS . 92.8 m -155.26 136.15 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.596 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -108.93 159.66 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.364 179.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.2 m -146.53 150.11 34.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.247 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.573 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.46 103.78 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.213 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.1 p -100.71 123.92 45.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.806 179.725 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -126.83 133.26 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 27.9 m-85 -127.16 145.53 50.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HA ' HG22 ' A' ' 17' ' ' ILE . 4.9 mttm -130.51 150.46 51.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.71 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.4 tp -132.06 129.09 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.152 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 5' ' ' LEU . 35.8 mm -102.45 107.52 22.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 54' ' ' VAL . 7.8 mt -96.02 116.82 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.076 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -113.28 101.25 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.531 ' CD2' HG23 ' A' ' 38' ' ' THR . 1.4 mp -101.08 168.59 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.974 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -21.15 19.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.632 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -142.67 115.17 8.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 11' ' ' GLN . . . 72.28 154.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.357 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -126.54 137.55 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.3 162.68 24.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -129.8 135.12 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.77 132.11 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.692 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.64 157.07 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.028 0.442 . . . . 0.0 111.724 -179.428 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.82 144.43 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.625 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.52 117.54 32.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.79 147.94 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -59.78 -35.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.533 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 2.8 p30 -121.43 -167.63 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.693 0.282 . . . . 0.0 110.742 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.24 -30.97 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.98 -39.72 19.07 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.156 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -27.17 55.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.86 -36.89 49.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.56 -60.25 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.541 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -56.79 -42.34 79.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.27 -42.44 93.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.519 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.3 m-30 -65.43 -42.18 92.74 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.69 81.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.23 -38.95 92.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.356 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.9 tp -80.07 -33.48 14.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.03 -62.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.643 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -35.11 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -23.88 62.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.467 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.26 -1.73 15.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.582 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.531 HG23 ' CD2' ' A' ' 9' ' ' LEU . 2.9 m -163.77 168.56 19.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 39' ' ' VAL . 16.2 t -148.64 37.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.13 129.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.496 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.54 169.08 32.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.45 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 55' ' ' THR . 10.9 m -104.39 109.97 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.162 0.506 . . . . 0.0 110.246 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -69.33 127.64 33.76 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.384 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 70.4 p -151.35 158.69 44.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.38 146.47 33.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.022 0.439 . . . . 0.0 111.174 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.02 132.23 55.47 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.8 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -89.52 115.61 27.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 163.84 -62.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.004 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.524 ' O ' HG22 ' A' ' 49' ' ' ILE . 13.5 mt -118.28 16.74 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.55 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.98 88.21 0.07 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 27.1 m -143.1 144.34 32.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.186 0.517 . . . . 0.0 112.184 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -127.83 156.93 41.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.846 179.296 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 6' ' ' ILE . 57.8 m -146.46 150.97 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.187 0.518 . . . . 0.0 111.725 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.563 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.75 103.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.012 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.531 ' O ' HG22 ' A' ' 42' ' ' VAL . 38.9 m -106.21 129.25 54.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.833 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 29.3 tt0 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.699 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -119.6 125.91 49.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.3 m-85 -128.48 141.89 51.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 150.34 52.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.762 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.9 tp -129.78 131.5 46.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.762 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.8 mp -110.14 107.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.796 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.717 HD21 HD21 ' A' ' 5' ' ' LEU . 1.2 mt -94.67 128.09 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.2 101.4 6.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.96 179.19 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -81.81 61.02 4.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.976 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.84 -48.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.83 -167.62 2.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 146.34 40.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.71 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -132.31 134.07 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.742 179.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -104.49 124.35 49.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.349 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.56 132.27 54.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.303 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -135.72 151.18 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.539 -179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.483 ' NZ ' HG22 ' A' ' 25' ' ' THR . 1.3 tttp -168.84 148.21 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.635 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.05 118.51 36.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.73 160.57 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.16 20.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.719 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.41 -166.77 1.59 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.68 0.276 . . . . 0.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.99 -39.73 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 -31.65 9.82 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.037 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.483 HG22 ' NZ ' ' A' ' 18' ' ' LYS . 23.3 m -82.44 -28.26 31.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.427 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.06 28.26 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.49 -58.49 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -40.47 69.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.51 -50.04 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.167 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 m-85 -61.21 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.936 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -57.89 -32.81 68.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.143 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.19 -38.66 75.39 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.146 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.1 tp -81.03 -32.61 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -61.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.669 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -34.78 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.65 -22.31 56.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 -33.23 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 0.0 111.23 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -147.02 173.85 12.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.5 p -140.0 33.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.44 132.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.483 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 170.78 174.3 38.59 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 55' ' ' THR . 2.7 t -103.13 105.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 0.0 110.306 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -70.33 97.94 1.32 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.491 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 47.6 p -116.65 158.64 23.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.358 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.33 146.37 33.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 0.1 OUTLIER -116.99 137.25 52.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.819 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.32 121.48 31.64 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.968 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 164.34 -62.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.249 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 49' ' ' ILE . 21.8 mt -126.31 19.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.414 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.94 89.9 0.08 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.426 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 14.5 t -141.62 143.56 33.72 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.354 -0.538 . . . . 0.0 112.167 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -128.11 157.34 41.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.229 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.9 m -146.41 150.63 36.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.57 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -130.53 102.91 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.375 0.607 . . . . 0.0 110.259 179.229 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.795 ' O ' HG23 ' A' ' 42' ' ' VAL . 6.8 m -100.18 124.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.358 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.665 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.841 0.353 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.748 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -97.32 112.46 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 62.9 m-85 -100.81 148.63 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.508 ' HB2' HG23 ' A' ' 51' ' ' THR . 10.9 mttp -137.33 150.48 47.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.965 0.412 . . . . 0.0 111.221 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.0 tp -129.61 118.1 21.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.947 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 5' ' ' LEU . 35.1 mm -92.86 107.48 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.424 HD21 HD21 ' A' ' 5' ' ' LEU . 53.3 mt -91.98 125.93 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.403 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.21 100.89 6.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -114.47 179.48 3.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.974 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.48 17.74 2.54 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.494 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -149.48 80.36 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 11' ' ' GLN . . . 68.31 146.95 0.05 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.64 150.62 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.9 140.23 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -113.48 125.84 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.59 132.06 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.49 153.3 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 111.503 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HE2' ' CD2' ' A' ' 29' ' ' TYR . 2.2 ttpp -168.89 144.16 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.629 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.748 ' HG3' HG22 ' A' ' 2' ' ' THR . 8.4 mp0 -96.52 122.59 39.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.85 147.71 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 22' ' ' ASP . 20.2 m -59.87 -47.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.345 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 21' ' ' VAL . 13.8 p-10 -114.49 -167.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.82 -31.31 11.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.07 -30.92 10.42 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -29.24 44.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.557 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.16 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -64.52 -59.62 4.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.455 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.88 -40.65 73.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CD2' ' HE2' ' A' ' 18' ' ' LYS . 31.6 t80 -70.94 -46.07 63.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.351 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 33' ' ' ILE . 9.0 m-30 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 109.844 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -60.51 -30.7 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.397 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.27 -38.09 63.52 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -74.76 -40.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 110.979 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.16 -57.13 13.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.683 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.949 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -54.74 -34.5 62.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 5.77 49.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.706 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -40.71 5.64 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.465 0.174 . . . . 0.0 111.373 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.502 ' C ' HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -168.53 -50.11 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.259 0.552 . . . . 0.0 111.602 -179.8 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 35' ' ' ASN . 3.6 t 77.9 63.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.057 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.06 121.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.428 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 157.43 -178.71 33.65 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.726 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 55' ' ' THR . 11.5 t -104.59 108.83 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.394 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -69.11 108.75 3.71 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 81.8 p -126.88 154.49 44.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.14 144.05 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.321 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 140.19 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.524 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.46 -3.78 58.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.494 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.49 -35.14 52.27 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.605 0.241 . . . . 0.0 111.121 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -166.99 32.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.246 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 7.6 mmtp 56.41 83.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.389 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 4' ' ' LYS . 92.6 m -147.59 134.05 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.345 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -111.26 159.64 17.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.514 179.791 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.442 HG23 ' HB ' ' A' ' 6' ' ' ILE . 92.5 m -146.54 154.24 41.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.993 0.425 . . . . 0.0 110.987 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.586 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.72 101.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 0.0 110.167 179.172 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 42' ' ' VAL . 57.2 m -100.51 124.37 45.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.475 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.808 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.877 HG23 ' HG2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -86.36 101.32 12.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 57.1 m-85 -80.58 149.03 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.721 ' HG2' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -127.42 151.24 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 111.156 -179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 7' ' ' LEU . 6.6 tp -138.16 117.65 12.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.001 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 53' ' ' THR . 36.9 mm -98.91 114.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 5' ' ' LEU . 4.9 mt -105.32 125.64 51.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.692 ' HB3' HG23 ' A' ' 55' ' ' THR . 6.0 t-20 -118.45 116.49 26.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.794 ' CD2' HG23 ' A' ' 38' ' ' THR . 0.8 OUTLIER -114.19 178.98 4.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -93.97 47.1 1.2 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.66 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 -169.92 3.12 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.57 127.4 29.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -111.26 136.7 49.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.763 179.789 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -109.24 119.82 40.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.49 132.06 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.307 179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.721 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -143.31 161.09 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.655 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' CD ' ' CG ' ' A' ' 29' ' ' TYR . 2.7 tttp -168.79 148.73 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.877 ' HG2' HG23 ' A' ' 2' ' ' THR . 4.2 mt-10 -111.35 111.92 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.07 149.75 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.6 m -59.9 -46.57 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.9 p30 -106.54 -167.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.782 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.66 -33.38 9.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.83 -31.09 9.71 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.229 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -80.2 -29.46 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.541 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -76.77 -42.17 41.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -58.44 6.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.398 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -40.91 72.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.452 ' CG ' ' CD ' ' A' ' 18' ' ' LYS . 21.6 t80 -69.98 -45.2 67.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.307 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 3.0 m-30 -62.37 -43.76 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.012 0.434 . . . . 0.0 109.958 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -30.93 66.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.37 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.6 -38.37 62.61 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.657 0.265 . . . . 0.0 111.481 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.6 tp -79.21 -39.24 20.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.883 0.373 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.71 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.652 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -37.62 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.83 59.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.672 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 10.06 13.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.542 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.794 HG23 ' CD2' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -165.88 173.32 10.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.041 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' H ' HG22 ' A' ' 38' ' ' THR . 17.3 m -154.4 25.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.64 133.64 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.64 172.01 35.81 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 42' ' ' VAL . 13.4 p -108.81 109.44 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 0.0 110.331 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -67.19 127.1 31.35 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.487 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -146.3 159.84 42.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.959 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.0 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.44 . . . . 0.0 111.236 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 3.0 ttpp -120.67 137.85 54.24 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.688 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.16 125.19 33.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.321 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 163.17 -61.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.381 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.24 23.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.258 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.78 84.53 0.13 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.674 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 2.7 t -133.38 140.64 47.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.97 0.414 . . . . 0.0 111.707 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -123.85 162.12 23.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.499 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 6' ' ' ILE . 65.3 m -146.59 151.34 37.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 111.347 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.55 105.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.297 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.692 HG23 ' HB3' ' A' ' 8' ' ' ASN . 2.2 m -109.47 129.27 55.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.591 -179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.718 179.645 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 p -131.19 106.41 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.489 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 20.1 m-85 -102.04 149.1 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.749 ' HG2' HG22 ' A' ' 17' ' ' ILE . 9.4 mttp -129.19 151.34 49.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.188 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.894 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 1.9 tp -130.98 118.63 20.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.871 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.7 mp -100.28 121.35 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.704 ' CD2' HD11 ' A' ' 5' ' ' LEU . 13.6 mt -112.14 130.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.871 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.769 ' C ' HD13 ' A' ' 9' ' ' LEU . 7.1 t-20 -121.53 101.0 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.769 HD13 ' C ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -114.32 179.23 4.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.798 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.94 51.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.839 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.91 73.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.926 0.393 . . . . 0.0 110.464 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.3 144.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 144.93 24.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.76 132.21 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -102.44 127.93 49.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.304 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.894 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.46 135.17 50.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.133 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.749 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -138.95 157.93 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -168.76 146.26 3.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.554 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.98 109.78 19.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.0 168.31 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.8 p -93.32 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.683 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.1 t70 -171.55 -167.72 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.766 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.66 -36.41 7.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.66 -30.34 8.61 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.247 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -28.02 32.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.652 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.23 46.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -68.39 -59.91 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.501 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -54.61 -36.13 64.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -72.63 -49.35 32.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 110.634 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.2 m-85 -61.44 -42.33 98.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.94 0.4 . . . . 0.0 109.979 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.85 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.042 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -69.14 -39.15 79.02 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.661 -179.65 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.8 tp -76.17 -36.8 31.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -72.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.597 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -51.36 -27.84 10.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.923 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -70.31 -20.29 63.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.384 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -169.98 57.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 111.299 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' HG12 ' A' ' 39' ' ' VAL . 95.1 m -164.69 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.608 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.3 p 42.86 42.91 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.769 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.82 111.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.658 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 159.84 173.13 27.94 Favored Glycine 0 C--N 1.329 0.169 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.656 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 55' ' ' THR . 20.4 t -103.96 107.06 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.267 0.556 . . . . 0.0 110.13 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -65.34 119.07 10.28 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.648 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -140.06 164.65 29.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.31 143.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -109.64 132.31 54.26 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.533 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.01 118.24 26.26 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.235 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 164.21 -62.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.274 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.516 ' O ' HG22 ' A' ' 49' ' ' ILE . 15.9 mt -124.81 22.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.448 179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 7.9 mmtt 57.93 83.85 0.11 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.708 HG22 ' HB2' ' A' ' 4' ' ' LYS . 66.1 p -134.91 140.73 45.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.064 0.459 . . . . 0.0 111.659 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 8.3 m-85 -118.36 159.73 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.8 m -146.59 152.85 39.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.424 . . . . 0.0 111.39 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -135.55 102.71 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.184 179.056 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -94.39 119.89 33.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.366 -178.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.465 179.745 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.734 HG22 ' HG2' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -130.04 101.3 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.466 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.2 m-85 -85.12 148.36 26.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -129.0 148.99 51.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 7' ' ' LEU . 5.1 tp -130.14 117.64 20.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.869 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 53' ' ' THR . 42.1 mm -97.39 110.08 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 5' ' ' LEU . 1.5 mt -102.4 128.77 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.461 ' HB2' HG23 ' A' ' 55' ' ' THR . 7.8 m120 -127.07 103.22 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.65 176.25 5.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.29 0.567 . . . . 0.0 111.085 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -22.44 22.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.57 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.43 110.14 8.09 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.471 . . . . 0.0 111.623 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.19 178.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.246 0.546 . . . . 0.0 111.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -139.25 147.33 41.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.82 139.66 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.58 120.06 40.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.278 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.55 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.692 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.33 160.81 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.423 . . . . 0.0 111.475 -179.633 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -168.8 150.58 4.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.614 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.734 ' HG2' HG22 ' A' ' 2' ' ' THR . 15.9 mt-10 -102.84 116.01 31.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 141.38 36.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.195 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -112.56 -167.1 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.21 -35.32 9.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.78 -32.71 11.55 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.136 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -79.74 -28.05 40.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.458 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -77.86 -41.0 38.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -55.63 -39.38 70.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.95 -44.47 63.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.36 . . . . 0.0 110.244 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.1 m-30 -62.72 -43.83 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.082 0.468 . . . . 0.0 109.808 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -34.36 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.008 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -38.59 79.67 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.109 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -81.76 -35.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 179.755 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -34.8 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.335 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -66.99 -58.19 5.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.705 0.288 . . . . 0.0 111.475 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.54 18.71 9.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.663 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.42 146.07 10.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.786 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 39' ' ' VAL . 14.6 t -139.91 29.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.319 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -179.2 126.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.45 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 171.26 170.11 34.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.507 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 55' ' ' THR . 11.8 m -106.54 110.98 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.331 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -67.3 130.03 41.77 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.491 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 3.9 p -151.21 158.71 44.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.149 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.35 139.04 29.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.966 0.412 . . . . 0.0 111.256 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HB2' HG23 ' A' ' 51' ' ' THR . 2.1 mtmm -106.87 132.58 52.67 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -88.27 119.09 28.35 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.977 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 163.99 -62.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.241 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 pp -122.24 17.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.99 87.24 0.09 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.443 HG23 ' HB2' ' A' ' 46' ' ' LYS . 1.6 t -142.88 141.55 31.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 111.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m-85 -120.3 161.27 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 6' ' ' ILE . 100.0 m -146.67 148.6 32.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.613 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.65 104.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.975 179.041 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.4 m -109.9 133.12 53.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.67 -178.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.713 179.544 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.435 ' HB ' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 19' ' ' GLU . 64.4 p -89.05 123.21 33.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.435 ' CE1' ' HB ' ' A' ' 1' ' ' THR . 57.5 m-85 -109.6 145.65 36.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -133.25 150.66 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 6' ' ' ILE . 1.5 tp -129.73 130.8 45.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.093 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.879 ' N ' HD12 ' A' ' 5' ' ' LEU . 34.7 mm -107.31 107.37 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.641 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 5' ' ' LEU . 7.1 mt -98.43 127.38 44.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.32 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -127.18 101.11 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 11' ' ' GLN . 0.7 OUTLIER -114.41 179.39 3.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.873 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.04 46.4 1.32 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' N ' HD12 ' A' ' 9' ' ' LEU . 11.9 tt0 179.67 78.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.457 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.89 139.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 149.16 21.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.29 135.52 48.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.775 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.85 125.7 53.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 111.26 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.57 140.2 43.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.227 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 pt -152.05 151.02 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 0.0 111.728 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.79 140.35 2.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HB3' HG22 ' A' ' 2' ' ' THR . 9.6 pt-20 -99.98 121.01 40.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.64 151.48 49.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.15 -46.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.144 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -104.18 -168.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.29 -32.9 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.329 . . . . 0.0 111.115 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.88 -28.09 7.02 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.311 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -78.56 -30.76 47.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.27 -39.22 65.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.796 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.91 -59.7 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.661 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -56.48 -41.2 76.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.14 -51.33 61.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.41 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.46 ' O ' HG22 ' A' ' 33' ' ' ILE . 7.5 m-30 -60.98 -42.49 98.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.178 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -30.47 68.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -73.45 -38.31 65.53 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.633 0.254 . . . . 0.0 111.471 -179.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -79.2 -33.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.942 0.401 . . . . 0.0 111.046 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -33.24 64.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.362 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.71 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.734 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -98.31 -31.88 11.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.92 165.84 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.3 m -138.69 64.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.7 109.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 171.92 174.86 39.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.533 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.1 m -106.02 110.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 0.0 110.631 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -70.49 127.75 33.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.296 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.518 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -149.36 154.56 39.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.124 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 2.0 t80 -143.16 141.78 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 111.292 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.7 126.58 50.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -73.78 -12.89 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.474 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.81 -33.41 7.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -160.46 27.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.344 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 51.95 89.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.193 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -160.18 136.3 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.556 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.88 161.95 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.521 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' ILE . 69.9 m -146.66 151.19 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.58 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.57 103.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.131 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.47 ' HB ' HG22 ' A' ' 42' ' ' VAL . 4.9 m -108.4 130.3 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.599 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.623 179.638 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 t -101.69 117.35 34.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 62.4 m-85 -102.66 149.06 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 51' ' ' THR . 0.9 OUTLIER -134.31 149.21 50.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 tp -130.68 127.95 39.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.136 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.703 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.4 mp -111.47 124.75 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.629 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 54' ' ' VAL . 2.3 mt -111.12 130.98 55.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.62 HD21 HG22 ' A' ' 6' ' ' ILE . 1.2 m-80 -126.97 110.12 12.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.621 HD21 ' CB ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -113.52 178.21 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -90.08 52.16 2.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.057 0.456 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.46 -40.6 0.01 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.384 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.36 177.67 10.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.084 0.469 . . . . 0.0 111.078 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.21 153.94 47.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -143.71 141.51 30.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -117.31 126.38 52.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.52 140.85 42.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.164 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -151.93 149.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.07 0.462 . . . . 0.0 111.835 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -168.85 152.67 5.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.583 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -105.61 114.17 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.93 167.84 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.339 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -93.28 20.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.755 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 2.8 m-20 -170.53 -87.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.797 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 22' ' ' ASP . . . 171.97 -38.35 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.029 0.442 . . . . 0.0 110.973 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.43 -29.11 7.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.616 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.56 -27.65 37.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.582 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -39.77 59.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.541 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.8 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.494 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -55.35 -38.04 68.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -72.85 -43.82 62.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.037 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.475 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.6 m-30 -62.5 -41.82 99.09 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.69 -33.14 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.574 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.62 -38.58 70.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.387 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.9 tp -78.49 -34.49 18.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.68 1.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -27.72 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.488 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.18 -17.73 32.0 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -30.25 10.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 111.208 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.621 ' CB ' HD21 ' A' ' 9' ' ' LEU . 1.6 t -150.76 174.3 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.967 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.8 t -152.01 47.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.26 117.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.429 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.75 172.83 36.7 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.372 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 55' ' ' THR . 10.7 m -102.54 112.12 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.083 0.468 . . . . 0.0 110.558 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -72.24 90.08 1.22 Allowed 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.597 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.7 p -106.82 153.46 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 2.2 t80 -143.34 145.71 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 0.0 111.069 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -120.45 140.68 51.03 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.8 m-20 -87.74 172.45 9.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 3.2 mm-40 85.49 -34.03 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.77 0.669 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.62 -17.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.235 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 2.7 mmtt 62.63 79.57 0.25 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.817 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 4' ' ' LYS . 98.4 m -148.72 137.93 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.018 0.437 . . . . 0.0 111.696 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -114.87 159.53 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.444 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 6' ' ' ILE . 85.4 m -146.52 148.78 32.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.654 0.264 . . . . 0.0 111.16 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.583 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -126.13 103.27 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.31 0.576 . . . . 0.0 110.293 179.404 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 8' ' ' ASN . 1.2 m -108.52 129.62 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.54 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--O 1.256 1.409 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.823 179.698 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.79 107.02 15.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 53.4 m-85 -80.28 149.08 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.774 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -133.44 149.8 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.072 0.463 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 7' ' ' LEU . 2.4 tp -127.06 131.86 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.832 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.807 ' N ' HD12 ' A' ' 5' ' ' LEU . 44.8 mm -107.29 110.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 5' ' ' LEU . 3.4 mt -102.94 120.7 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.949 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -127.02 106.53 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.29 179.07 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -83.65 62.15 6.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -177.86 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.085 0.469 . . . . 0.0 111.453 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.24 158.76 33.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.33 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -110.26 123.0 48.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -110.02 141.87 42.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.79 179.613 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.37 126.93 52.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.798 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.7 140.18 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.184 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 pt -152.04 154.44 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 111.628 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -168.82 136.7 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.547 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -92.61 109.39 20.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.68 139.23 36.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.5 m -59.8 -46.45 93.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.339 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' HG23 ' A' ' 21' ' ' VAL . 11.3 p-10 -101.54 -168.8 1.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.06 -30.91 7.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.289 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -35.29 14.1 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.3 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -78.67 -27.85 45.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.95 -38.32 45.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.692 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.64 -59.65 3.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.79 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -39.33 71.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.25 -49.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.507 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.6 m-85 -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.986 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -31.39 67.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -72.09 -38.5 69.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.211 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -79.85 -33.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.09 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -54.74 -32.2 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.51 -24.84 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.84 -35.03 14.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.29 -175.48 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 39' ' ' VAL . 17.3 t -150.18 40.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.2 128.44 0.87 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.218 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.573 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 167.34 172.1 34.12 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 55' ' ' THR . 22.0 t -105.64 107.85 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.484 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -69.62 128.69 37.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.401 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 2.2 p -151.14 156.35 40.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 2.9 t80 -143.39 142.8 31.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.071 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -120.38 142.83 48.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.821 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.1 t0 -86.68 178.52 7.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 1.9 mm-40 85.16 -34.44 0.05 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.718 HD12 ' CG2' ' A' ' 51' ' ' THR . 1.5 pt -130.68 -5.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.639 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.41 87.43 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.715 0.293 . . . . 0.0 111.306 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.718 ' CG2' HD12 ' A' ' 49' ' ' ILE . 26.4 p -155.14 139.18 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.701 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.8 163.26 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.421 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 6' ' ' ILE . 81.4 m -146.23 151.29 37.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.156 -0.34 . . . . 0.0 111.65 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.573 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -135.65 103.25 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.375 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.9 m -104.69 125.64 50.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.51 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.601 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.744 0.306 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -140.19 134.09 30.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.595 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 26.8 m-85 -122.03 149.96 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' CB ' HG22 ' A' ' 17' ' ' ILE . 5.0 mttt -132.71 150.13 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 6' ' ' ILE . 5.8 tp -131.0 123.78 29.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.977 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 5' ' ' LEU . 30.9 mm -103.18 112.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 14' ' ' GLU . 2.8 mt -98.89 124.6 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.713 ' HB3' HG22 ' A' ' 55' ' ' THR . 7.6 t-20 -127.2 101.13 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -110.94 178.84 4.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -88.34 55.96 3.63 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.763 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -167.13 -49.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.221 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.72 -169.34 2.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.17 139.05 49.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.35 0.595 . . . . 0.0 110.709 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -133.38 135.4 44.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -114.97 127.03 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.05 133.03 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.459 HG22 ' CB ' ' A' ' 4' ' ' LYS . 10.3 pt -151.7 148.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HE2' ' CZ ' ' A' ' 29' ' ' TYR . 2.1 ttpp -168.93 145.19 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.509 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 2.4 mt-10 -89.96 128.6 36.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.47 157.27 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 22' ' ' ASP . 3.2 p -62.51 -49.74 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' N ' HG13 ' A' ' 21' ' ' VAL . 6.6 p-10 -119.73 -167.47 1.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.755 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . . . -94.92 -34.03 12.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.065 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.99 -29.93 8.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.395 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -80.59 -28.9 36.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.857 0.361 . . . . 0.0 110.573 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -79.29 -42.9 24.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.611 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.41 -60.93 2.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.211 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -36.65 65.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.278 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CZ ' ' HE2' ' A' ' 18' ' ' LYS . 39.8 t80 -75.98 -38.77 57.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.883 0.373 . . . . 0.0 110.263 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.0 m-30 -67.11 -43.36 82.67 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -60.53 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.954 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -59.58 -41.86 91.16 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.279 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.851 HD11 ' NZ ' ' A' ' 37' ' ' LYS . 9.9 tp -74.59 -29.9 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.905 0.384 . . . . 0.0 110.803 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' THR . . . -58.73 -72.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -12.64 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -79.32 -20.51 47.72 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.851 ' NZ ' HD11 ' A' ' 33' ' ' ILE . 2.1 ptpp? -144.3 -38.89 0.29 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.519 HG21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -92.9 176.19 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -173.76 131.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.106 0.479 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.07 123.92 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.499 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.61 173.1 36.85 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.78 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 55' ' ' THR . 23.8 t -107.39 107.29 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.117 0.484 . . . . 0.0 110.518 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -67.93 112.03 4.71 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.591 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -130.86 160.13 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.201 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.43 147.5 34.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD3' HG23 ' A' ' 51' ' ' THR . 13.6 mtpt -117.89 133.55 55.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.99 121.5 29.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 pt-20 163.27 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.385 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 49' ' ' ILE . 24.3 mm -124.48 20.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.371 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.89 86.99 0.08 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.554 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.459 HG23 ' HD3' ' A' ' 46' ' ' LYS . 3.5 t -140.36 143.73 35.9 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.95 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.9 m-85 -124.69 160.44 28.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.45 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 6' ' ' ILE . 66.3 m -146.59 153.19 40.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.562 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.6 103.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.347 0.594 . . . . 0.0 110.177 179.236 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.713 HG22 ' HB3' ' A' ' 8' ' ' ASN . 4.2 p -106.58 128.56 54.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.732 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.973 179.648 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.69 0.281 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 t -101.54 132.13 47.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.749 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 31.7 m-85 -118.91 149.52 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HA ' HG22 ' A' ' 17' ' ' ILE . 52.2 mttt -130.45 150.17 51.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.96 0.41 . . . . 0.0 111.186 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.77 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.8 tp -130.91 133.66 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.228 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.77 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.4 mp -105.06 115.23 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.594 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.726 HD23 HG12 ' A' ' 54' ' ' VAL . 62.6 mt -103.91 127.85 51.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.329 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -122.07 101.27 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.791 HD21 HG22 ' A' ' 38' ' ' THR . 1.1 mt -112.99 179.28 4.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -88.92 46.03 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.002 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -179.73 83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.85 147.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -89.11 136.57 32.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -123.24 144.62 49.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -124.14 125.51 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.5 138.38 45.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 4' ' ' LYS . 10.3 pt -151.93 161.73 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.018 0.437 . . . . 0.0 111.67 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.809 ' HE2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -168.8 166.08 11.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.998 -179.286 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.56 129.19 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.809 ' HB2' ' HE2' ' A' ' 18' ' ' LYS . . . -139.82 178.98 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -92.28 20.81 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.834 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.45 -165.48 0.33 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.749 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -109.25 -40.67 4.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.531 0.205 . . . . 0.0 111.066 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.52 -29.08 11.02 Favored Glycine 0 CA--C 1.511 -0.216 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.89 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -75.4 -29.93 59.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.484 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.53 -36.6 63.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.4 tt0 -68.3 -74.76 0.12 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.42 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.09 -30.57 1.94 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.411 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 9.9 t80 -78.83 -45.55 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.8 m-30 -63.36 -40.85 98.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -40.24 89.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.87 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.12 -41.14 92.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.966 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.3 tp -77.59 -29.41 16.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.802 0.334 . . . . 0.0 110.83 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.38 -64.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -25.17 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.873 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.35 -67.49 0.79 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.83 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -69.41 -30.18 68.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.966 -179.114 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 37' ' ' LYS . 17.6 p -118.6 176.57 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.196 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.625 ' O ' HG22 ' A' ' 39' ' ' VAL . 13.9 p -166.63 31.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.82 124.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.967 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.702 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.21 169.57 32.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.925 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 55' ' ' THR . 3.8 t -102.03 107.66 22.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.294 0.569 . . . . 0.0 109.967 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -69.44 126.82 30.93 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.719 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.481 HG22 ' HB ' ' A' ' 53' ' ' THR . 7.3 t -151.6 155.16 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 1.3 t80 -143.4 147.99 35.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 111.191 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.55 137.84 54.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.632 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 4.8 t0 -88.07 166.91 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.2 tp10 90.94 -33.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.358 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.27 -15.96 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 61.46 80.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -151.5 141.21 21.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.723 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.529 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -114.94 163.76 15.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.431 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.481 ' HB ' HG22 ' A' ' 44' ' ' THR . 62.5 m -146.39 150.94 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.841 0.353 . . . . 0.0 111.551 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.726 HG12 HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -135.64 100.58 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.206 0.527 . . . . 0.0 110.43 179.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 26.6 m -94.96 117.61 30.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.684 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.724 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.5 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.4 HG23 ' CB ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -95.06 130.21 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.672 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 24.5 m-85 -120.49 146.63 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.549 ' HB2' HG22 ' A' ' 51' ' ' THR . 12.3 mttp -125.51 148.98 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.188 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 6' ' ' ILE . 1.7 tp -127.63 131.48 49.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.181 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.871 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.4 mp -111.68 107.59 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.833 HD21 HD21 ' A' ' 5' ' ' LEU . 1.1 mt -97.99 123.68 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.25 104.15 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -95.0 179.44 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -47.39 7.87 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.16 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 13.8 tt0 -144.6 66.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 111.65 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.742 ' HB3' HD11 ' A' ' 9' ' ' LEU . . . 168.4 152.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.27 124.51 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.82 135.49 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.639 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -111.78 117.07 31.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.273 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.49 130.41 55.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.697 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.1 152.54 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 111.556 -179.412 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.86 152.81 5.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.562 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' CB ' HG23 ' A' ' 2' ' ' THR . 7.2 tm-20 -112.45 137.61 50.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.8 177.07 8.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 111.339 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 22' ' ' ASP . 28.3 m -64.09 -47.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.844 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.492 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.1 m-20 -121.76 -75.17 0.6 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.34 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.672 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -178.45 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.04 -29.52 3.42 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -32.4 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.1 63.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 110.707 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.7 tt0 -64.74 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -47.5 -30.01 3.17 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.484 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.1 t80 -78.04 -46.86 19.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.7 m-30 -62.57 -40.89 98.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -60.43 -37.05 79.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.935 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.37 -39.43 93.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.284 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -76.55 -34.39 24.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.387 . . . . 0.0 110.544 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.12 -59.41 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.374 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.611 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -55.69 -33.73 64.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.836 179.657 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.1 6.15 47.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.425 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -101.59 -37.34 8.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.143 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -176.27 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.39 0.138 . . . . 0.0 111.219 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG22 ' HA ' ' A' ' 35' ' ' ASN . 13.8 t 74.58 63.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.95 118.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 164.53 175.86 35.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.617 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.6 m -107.13 111.08 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.174 0.512 . . . . 0.0 110.534 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -66.68 113.57 4.92 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.164 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.2 p -134.07 164.58 27.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.43 36.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.026 0.441 . . . . 0.0 111.1 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -115.39 131.56 56.89 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.648 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 12.7 t70 -88.75 121.55 31.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.111 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 2.4 mm-40 155.55 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.466 0.707 . . . . 0.0 110.279 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 49' ' ' ILE . 1.9 mp -130.18 16.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 178.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 57.1 86.37 0.07 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 4' ' ' LYS . 76.9 p -140.03 129.21 23.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.997 0.427 . . . . 0.0 111.719 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 3.9 m-85 -106.31 158.85 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 6' ' ' ILE . 92.7 m -146.55 151.44 37.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.987 0.422 . . . . 0.0 111.37 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.575 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -133.64 101.73 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.124 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' HG22 ' A' ' 42' ' ' VAL . 3.0 m -103.2 129.24 50.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.641 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.673 179.702 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.762 0.315 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 p -114.29 142.41 46.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.499 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.2 m-85 -122.23 149.9 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.616 ' CG ' HG22 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -125.83 151.3 47.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.061 0.458 . . . . 0.0 110.985 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 6' ' ' ILE . 6.5 tp -133.31 129.7 37.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.149 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 5' ' ' LEU . 39.6 mm -103.39 107.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.926 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD21 HD21 ' A' ' 5' ' ' LEU . 17.7 mt -95.19 123.51 38.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.202 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 101.28 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.922 HD21 ' HB3' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -105.36 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.991 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG2' HD12 ' A' ' 9' ' ' LEU . 5.6 pttp -40.84 -53.88 2.79 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.053 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -143.54 73.71 1.4 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.392 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.922 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . 169.02 146.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.047 0.451 . . . . 0.0 111.147 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -136.76 107.27 6.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -118.09 150.59 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.18 128.62 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.46 138.76 45.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.196 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.616 HG22 ' CG ' ' A' ' 4' ' ' LYS . 4.8 pt -145.98 162.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.997 0.427 . . . . 0.0 111.783 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -168.83 140.64 2.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.642 -179.358 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.13 116.1 31.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.88 171.21 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -92.34 20.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.691 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.4 t0 -174.17 -166.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 110.666 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.58 -37.98 7.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.244 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.47 -32.96 10.92 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.566 -0.825 . . . . 0.0 112.227 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -80.79 -27.83 36.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.582 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.48 -41.32 27.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.597 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -66.06 -58.77 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -55.02 -39.23 68.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 18' ' ' LYS . 32.6 t80 -71.78 -43.28 65.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.14 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-30 -63.28 -43.55 97.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.135 0.493 . . . . 0.0 109.745 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -34.5 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.082 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -69.66 -38.64 77.17 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.197 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.1 tp -81.43 -36.47 14.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.823 0.344 . . . . 0.0 110.983 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -62.22 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.83 -23.85 64.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.551 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -99.83 -31.95 11.25 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.22 -177.37 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.954 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -153.56 37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.248 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -174.78 135.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.582 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 162.33 172.83 30.27 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.595 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 55' ' ' THR . 5.3 t -101.81 107.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.152 0.501 . . . . 0.0 110.054 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -69.36 118.94 12.88 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.5 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -142.64 165.7 26.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.164 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.31 131.63 22.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.123 0.487 . . . . 0.0 111.349 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -92.92 128.9 38.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.42 113.48 24.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 165.88 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 51' ' ' THR . 1.4 pt -117.68 17.3 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.605 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 61.0 90.55 0.06 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.997 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.582 HG22 ' HB2' ' A' ' 4' ' ' LYS . 80.4 p -149.23 146.16 27.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 0.0 112.017 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 2.4 m-85 -120.61 160.93 22.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.082 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 6' ' ' ILE . 55.4 m -146.68 152.41 38.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 111.576 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.585 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.66 100.64 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.082 179.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 p -101.02 124.67 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.584 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.714 179.716 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -94.15 136.13 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 59.4 m-85 -126.58 148.74 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 51' ' ' THR . 6.2 mttm -133.01 149.69 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.0 tp -132.28 128.02 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.372 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 5' ' ' LEU . 36.0 mm -102.01 107.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.476 HD23 HG12 ' A' ' 54' ' ' VAL . 11.5 mt -98.34 119.52 37.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.232 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -124.01 100.64 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.783 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 179.34 3.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -82.71 50.37 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.31 82.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.434 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.16 168.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HE3' HG23 ' A' ' 6' ' ' ILE . 52.7 tttt -117.74 140.57 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.13 143.89 50.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -118.09 137.74 52.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -116.82 138.04 51.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.394 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 pt -152.09 153.08 10.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.047 0.451 . . . . 0.0 111.602 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.89 142.51 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.641 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.77 110.73 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.01 177.21 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.8 t -92.38 20.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.695 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.06 -165.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.695 0.283 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.58 -35.46 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.17 -31.25 11.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.088 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -80.26 -28.01 38.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.477 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.56 -39.08 53.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.674 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.16 -61.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -55.12 -34.54 63.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.45 -43.47 39.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.775 0.321 . . . . 0.0 110.184 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' O ' HG22 ' A' ' 33' ' ' ILE . 6.2 m-30 -63.86 -42.09 97.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -37.43 80.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.03 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.29 -37.86 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.249 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.3 tp -79.81 -31.61 13.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.36 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.746 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -35.72 67.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.2 -30.7 62.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -85.13 -33.54 22.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -172.21 -176.59 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.526 ' O ' HG22 ' A' ' 39' ' ' VAL . 11.0 p -151.18 55.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -165.82 117.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.784 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 166.64 172.15 33.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.62 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 42' ' ' VAL . 30.4 m -102.81 110.95 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.214 0.53 . . . . 0.0 110.347 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -71.81 105.97 3.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.486 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 17.0 p -123.0 155.51 36.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.011 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.31 143.51 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.095 0.474 . . . . 0.0 111.638 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -114.93 144.71 43.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.264 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -95.59 -9.1 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 49' ' ' ILE . 2.4 mp0 -57.75 -33.83 68.89 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.339 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -158.32 32.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 4.8 mmtt 48.87 88.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.22 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.2 m -153.57 133.27 13.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.438 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -110.21 161.42 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.555 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' ILE . 64.0 m -146.71 152.29 38.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.418 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.9 101.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.071 179.229 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.43 ' HB ' HG22 ' A' ' 42' ' ' VAL . 1.1 m -106.16 127.44 53.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.517 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.942 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.445 HG23 ' CB ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -129.73 119.82 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.441 ' CE2' ' HD3' ' A' ' 50' ' ' LYS . 41.2 m-85 -115.95 149.42 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.813 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -133.73 149.29 51.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 111.161 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.3 tp -124.95 121.92 35.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.154 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.7 mp -100.65 115.69 42.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.14 125.7 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -126.08 101.3 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 12' ' ' ALA . 1.4 mt -106.18 179.0 4.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -55.77 -46.31 77.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.261 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.15 58.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.983 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.779 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -177.23 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.103 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -97.8 120.16 37.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.181 0.515 . . . . 0.0 110.722 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.52 142.19 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -103.37 130.84 50.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.58 140.79 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.485 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.49 HG22 ' HG2' ' A' ' 4' ' ' LYS . 10.1 pt -151.94 147.94 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 0.0 111.589 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.85 140.4 2.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.543 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' CB ' HG23 ' A' ' 2' ' ' THR . 0.4 OUTLIER -104.47 120.11 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.5 171.57 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.9 p -93.33 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.6 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -169.22 -166.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.658 0.266 . . . . 0.0 110.817 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.42 -38.73 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.25 -28.52 8.85 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.131 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -80.76 -29.29 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.486 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.06 -39.77 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.24 -60.28 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.437 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -54.96 -36.69 65.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -73.04 -48.39 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.534 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.52 ' O ' HG22 ' A' ' 33' ' ' ILE . 7.0 m-30 -61.6 -42.64 99.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.877 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -34.27 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -68.42 -37.86 80.68 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.285 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.8 tp -80.16 -36.7 16.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.95 -69.06 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.61 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -33.44 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -59.97 -24.64 64.58 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.372 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -153.01 43.76 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -165.33 117.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.39 27.24 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.325 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 179.35 119.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.592 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . -178.75 165.34 34.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.645 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 55' ' ' THR . 10.8 t -108.28 105.88 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.243 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -64.91 127.3 30.99 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.524 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.415 ' CG2' ' HB ' ' A' ' 53' ' ' THR . 8.3 t -151.45 167.5 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.392 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.29 139.3 30.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.046 0.45 . . . . 0.0 111.265 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.55 135.16 44.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.14 118.11 28.61 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 165.37 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.169 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.7 mt -124.94 24.65 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 3' ' ' TYR . 1.5 mmpt? 58.57 88.9 0.06 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.621 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.813 HG22 ' HB2' ' A' ' 4' ' ' LYS . 17.5 p -141.2 147.02 37.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.195 0.522 . . . . 0.0 112.212 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 5.7 m-85 -123.23 156.9 34.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.929 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 6' ' ' ILE . 86.8 m -146.37 153.23 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.419 . . . . 0.0 111.603 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.592 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -135.25 106.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.196 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.863 ' O ' HG23 ' A' ' 42' ' ' VAL . 56.6 m -109.99 127.79 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.439 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.786 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.751 0.31 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.718 HG22 ' CG ' ' A' ' 19' ' ' GLU . 17.3 p -102.22 115.07 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -103.64 141.87 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HG2' HG22 ' A' ' 17' ' ' ILE . 7.9 mtmm -123.2 151.34 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.137 0.494 . . . . 0.0 111.104 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.786 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 5.4 tp -130.16 124.24 32.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.072 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 5' ' ' LEU . 43.4 mm -103.27 109.23 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.988 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.628 HD23 HG12 ' A' ' 54' ' ' VAL . 3.5 mt -100.54 125.97 46.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.197 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.662 ' HB3' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -127.25 101.39 6.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.48 178.9 4.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.031 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 66.81 4.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.71 -46.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.68 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -91.95 124.72 36.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 110.697 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.97 136.53 53.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -111.11 123.42 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.422 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.786 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.47 135.9 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.318 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.608 HG22 ' HG2' ' A' ' 4' ' ' LYS . 5.2 pt -146.06 155.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.057 0.456 . . . . 0.0 111.543 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -168.75 134.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.584 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.718 ' CG ' HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -108.13 114.32 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.9 168.44 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.8 t -92.46 20.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -159.39 -165.43 1.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.761 0.315 . . . . 0.0 110.772 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.13 -41.18 2.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.242 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.09 -31.08 10.77 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.904 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -29.27 39.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 110.365 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.386 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.07 -61.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.521 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.23 -36.3 63.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -71.62 -51.8 21.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.2 m-85 -60.27 -42.85 96.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.993 0.425 . . . . 0.0 109.921 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -57.58 -32.34 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.006 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.43 -38.62 71.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.9 tp -81.75 -35.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 110.757 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -63.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -37.28 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.32 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.1 61.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.697 0.284 . . . . 0.0 111.632 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -100.26 -28.79 12.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.765 0.317 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 179.15 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 39' ' ' VAL . 18.4 t -149.09 37.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -176.42 134.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.574 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 163.58 169.52 27.18 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.579 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.9 m -103.23 108.87 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.229 0.537 . . . . 0.0 110.367 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -70.81 126.86 30.75 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.465 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 22.6 p -147.57 147.21 29.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.207 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.432 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 17.8 t80 -143.07 138.62 30.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.114 0.483 . . . . 0.0 111.565 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' CD ' ' HB3' ' A' ' 48' ' ' GLU . 4.0 ttmt -120.72 124.96 46.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.169 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -25.06 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.421 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB3' ' CD ' ' A' ' 46' ' ' LYS . 18.4 tp10 -52.93 -34.56 55.92 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.084 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.555 ' O ' HG22 ' A' ' 49' ' ' ILE . 20.6 mt -128.78 0.86 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.54 69.18 0.75 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.015 0.436 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 4.7 p -152.61 142.47 22.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 111.461 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -106.03 162.96 13.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.596 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 6' ' ' ILE . 86.9 m -146.62 148.13 31.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.799 0.333 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.58 102.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.252 0.548 . . . . 0.0 110.428 179.352 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.662 HG23 ' HB3' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -103.72 125.32 50.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.526 -179.155 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.698 179.802 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.796 0.331 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 19' ' ' GLU . 7.1 m -140.07 113.93 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.1 m-85 -104.78 148.75 26.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.88 149.03 51.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.776 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.5 tp -132.89 129.54 38.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.054 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.8 mp -104.6 111.72 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.737 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -95.85 127.42 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -126.9 101.16 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.786 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.697 ' HB3' HG21 ' A' ' 38' ' ' THR . 0.8 OUTLIER -114.74 179.27 4.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -82.15 54.06 2.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.663 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 171.85 86.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.231 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.78 171.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -117.51 136.36 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.42 136.8 54.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.734 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -111.9 127.37 55.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.237 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.58 132.25 54.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.686 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.12 152.21 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.41 . . . . 0.0 111.517 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 8.0 tttp -168.94 144.3 3.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.698 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.487 ' HG2' HG23 ' A' ' 2' ' ' THR . 20.9 mt-10 -96.79 121.98 39.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.9 142.95 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.3 m -59.77 -46.55 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.49 ' N ' HG23 ' A' ' 21' ' ' VAL . 54.8 p-10 -112.68 -167.35 1.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.764 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.84 -34.53 9.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.738 0.304 . . . . 0.0 111.243 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -33.36 10.84 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.174 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -80.92 -28.63 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.86 -41.57 43.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.45 -59.64 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -55.38 -37.14 67.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 14.6 t80 -72.89 -49.37 30.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.5 m-85 -61.11 -43.85 98.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.976 0.417 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -57.92 -35.21 70.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -66.55 -39.89 88.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.164 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.8 tp -78.42 -37.39 21.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.839 0.352 . . . . 0.0 110.804 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.96 -63.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.848 ' O ' HG22 ' A' ' 39' ' ' VAL . 1.6 m120 -55.08 -28.38 51.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 -0.14 57.44 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -37.59 7.22 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.666 0.246 . . . . 0.0 111.666 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.697 HG21 ' HB3' ' A' ' 9' ' ' LEU . 14.6 p -140.15 -42.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.608 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 35' ' ' ASN . 5.6 t 78.7 31.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.872 0.367 . . . . 0.0 111.0 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.66 146.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.829 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.449 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 157.07 178.07 30.79 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.73 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 55' ' ' THR . 6.5 t -107.51 106.45 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.022 0.439 . . . . 0.0 110.208 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -65.07 129.15 38.66 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.501 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.37 154.24 36.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.263 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.25 146.85 34.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.07 0.462 . . . . 0.0 111.17 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 8.1 ttpt -119.71 136.89 54.24 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.741 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 3.3 t0 -87.79 123.48 32.63 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.562 ' HG2' HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER 164.12 -61.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.674 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 49' ' ' ILE . 3.4 mt -128.49 22.3 2.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.052 0.454 . . . . 0.0 110.077 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.3 84.39 0.11 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.41 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 3.0 t -134.35 143.88 47.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.104 0.478 . . . . 0.0 111.941 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -129.57 158.49 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.264 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 6' ' ' ILE . 94.2 m -146.54 149.54 33.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.561 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.64 104.26 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.087 179.187 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 42' ' ' VAL . 33.5 m -102.02 125.86 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.583 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.745 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.834 0.35 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.464 HG22 ' HG3' ' A' ' 19' ' ' GLU . 39.4 p -97.45 88.39 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 61.4 m-85 -74.18 147.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HG2' HG22 ' A' ' 17' ' ' ILE . 9.8 mttp -126.31 149.68 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.599 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.8 tp -133.13 120.45 21.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.8 mp -96.92 107.45 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 54' ' ' VAL . 4.4 mt -101.46 131.01 47.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.072 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.12 100.99 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.491 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.92 167.58 10.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -55.13 -25.01 29.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.428 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.37 90.92 3.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.791 0.329 . . . . 0.0 111.074 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 54.57 173.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.267 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -111.27 134.11 53.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.675 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.52 144.71 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -117.8 132.23 56.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.67 139.82 44.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.404 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.437 HG22 ' HG2' ' A' ' 4' ' ' LYS . 6.1 pt -152.1 150.12 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.578 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -168.89 141.48 2.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.673 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HG3' HG22 ' A' ' 2' ' ' THR . 7.5 tt0 -102.76 117.7 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.74 177.11 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -92.3 20.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.649 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -178.04 -165.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.285 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.47 -37.82 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.37 -29.65 10.92 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.142 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -28.44 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.341 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.65 49.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.588 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.77 -58.9 4.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -56.24 -38.16 70.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -71.18 -49.0 48.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.826 0.346 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.628 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.9 m-30 -61.33 -43.26 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -36.34 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.061 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.99 -41.31 95.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.688 0.28 . . . . 0.0 111.258 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.5 tp -74.45 -29.99 25.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -68.39 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.736 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -20.36 37.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.456 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.54 -23.96 29.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.56 0.219 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.612 ' O ' HG23 ' A' ' 38' ' ' THR . 0.7 OUTLIER -102.61 -31.93 10.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 120.746 0.308 . . . . 0.0 111.333 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -165.94 -177.3 4.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.809 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.6 p -153.52 63.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.252 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.71 123.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.53 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 164.74 172.5 32.28 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.682 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 55' ' ' THR . 7.7 t -104.51 107.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 110.415 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -69.88 128.02 34.92 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.482 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 7.2 t -151.51 159.58 44.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.1 t80 -143.26 143.0 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.11 0.481 . . . . 0.0 111.459 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -120.64 133.46 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.45 -4.54 51.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.685 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -51.27 -35.32 36.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.096 0.474 . . . . 0.0 111.356 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -162.85 28.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.16 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 56.54 85.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.039 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -157.22 138.94 14.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 111.417 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.74 164.83 11.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.305 179.621 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 6' ' ' ILE . 67.7 m -146.56 150.7 36.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.51 103.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.294 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 m -103.13 125.45 49.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.38 -178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.585 179.751 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.93 0.395 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -95.53 131.19 41.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 28.5 m-85 -116.3 149.17 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -130.27 149.95 51.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.782 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.837 HD21 HD21 ' A' ' 7' ' ' LEU . 5.9 tp -132.98 134.05 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.3 mp -110.13 108.52 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.661 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.847 HD23 HG12 ' A' ' 54' ' ' VAL . 11.7 mt -103.18 131.08 50.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.237 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 105.42 8.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.16 178.93 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -78.63 63.5 3.44 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -178.26 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.47 -169.55 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 124.75 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 127.37 55.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.7 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -100.18 126.52 46.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 111.035 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.48 131.08 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.614 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.691 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -138.84 150.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.385 -179.678 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -168.82 144.28 3.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.763 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.07 125.94 40.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.52 161.64 37.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 22' ' ' ASP . 30.8 m -59.82 -46.39 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.31 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' N ' HG23 ' A' ' 21' ' ' VAL . 11.9 m-20 -131.52 -165.02 1.51 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.75 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.63 -34.51 18.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.238 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.19 10.81 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.186 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -79.68 -29.34 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.48 -42.97 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.51 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.82 -54.42 39.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.97 75.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.303 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -74.53 -45.29 46.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.861 0.363 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.641 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.2 m-30 -61.47 -43.12 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -58.85 -37.43 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.913 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -62.97 -41.13 99.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.115 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -76.15 -28.37 18.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.9 0.381 . . . . 0.0 111.005 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.54 -71.62 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.72 -20.67 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.761 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.73 -67.68 0.74 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.871 0.367 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' HD2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.9 -25.53 64.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.184 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -134.76 172.12 13.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -148.79 31.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.302 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.7 142.42 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.578 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 162.37 171.74 28.92 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 55' ' ' THR . 11.5 t -105.37 107.64 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.093 0.473 . . . . 0.0 110.329 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.13 129.2 39.0 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.531 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.1 p -151.22 157.69 42.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.195 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.43 148.63 36.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 111.24 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 9.4 ttpt -117.9 132.13 56.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.581 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 8.7 t70 -88.6 123.15 32.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.0 mm-40 154.77 -51.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.1 pp -128.66 15.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.843 0.354 . . . . 0.0 110.504 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 8.2 mmtt 57.86 82.7 0.12 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 2.3 t -138.41 138.54 38.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 111.71 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -119.51 161.45 20.57 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.343 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 6' ' ' ILE . 91.4 m -146.55 149.77 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 111.487 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.847 HG12 HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -135.72 103.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.118 179.017 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -103.85 125.81 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.495 -178.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.692 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.6 105.58 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 57.4 m-85 -102.6 148.93 24.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -136.5 150.15 48.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 0.0 111.053 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.6 tp -126.5 127.93 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.002 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.738 ' N ' HD12 ' A' ' 5' ' ' LEU . 44.5 mm -104.17 112.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.575 HD22 ' HD2' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -99.48 130.96 45.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.016 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.21 101.53 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.717 HD21 ' HB ' ' A' ' 38' ' ' THR . 1.3 mt -113.62 157.98 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -39.33 70.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -61.59 2.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.78 -175.46 5.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -113.91 139.28 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.7 144.28 51.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -109.83 123.52 49.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.98 0.419 . . . . 0.0 111.368 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.56 133.25 53.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.6 157.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.024 0.44 . . . . 0.0 111.528 -179.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.81 144.11 3.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.6 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -110.54 114.89 28.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 161.37 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.28 20.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.682 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -162.6 -165.83 1.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.729 0.3 . . . . 0.0 110.684 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.25 -38.3 3.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.05 -30.81 10.19 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.099 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -81.37 -27.95 34.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.6 49.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.995 0.426 . . . . 0.0 110.639 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.05 -59.95 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.457 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -54.95 -37.25 66.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -71.95 -52.33 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.544 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.0 m-85 -59.94 -42.24 93.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.884 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -33.23 69.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -40.28 79.2 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.27 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.2 tp -75.9 -37.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.869 0.366 . . . . 0.0 110.532 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.83 -73.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.476 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.871 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -51.37 -26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.63 7.28 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.762 ' HG3' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -147.59 15.93 1.12 Allowed 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.762 HG22 ' HG3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER 176.61 -76.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 111.588 179.227 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.871 HG22 ' HA ' ' A' ' 35' ' ' ASN . 3.8 t 79.86 33.7 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -164.43 128.24 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 156.05 -179.7 31.76 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 55' ' ' THR . 10.5 t -104.51 107.65 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.276 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -68.52 129.66 40.56 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.597 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.492 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.28 147.86 27.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.103 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 4.0 t80 -143.12 139.97 30.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 111.47 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -120.44 118.66 30.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.377 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -17.8 62.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.423 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.92 -29.79 57.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.707 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.46 HD12 ' OG1' ' A' ' 51' ' ' THR . 1.4 pt -145.9 18.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 47.04 78.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.901 0.382 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 4' ' ' LYS . 92.8 m -155.26 136.15 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.596 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -108.93 159.66 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.364 179.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.2 m -146.53 150.11 34.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.247 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.573 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.46 103.78 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.213 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.1 p -100.71 123.92 45.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.806 179.725 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -126.83 133.26 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 27.9 m-85 -127.16 145.53 50.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HA ' HG22 ' A' ' 17' ' ' ILE . 4.9 mttm -130.51 150.46 51.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.71 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.4 tp -132.06 129.09 39.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.152 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 5' ' ' LEU . 35.8 mm -102.45 107.52 22.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 54' ' ' VAL . 7.8 mt -96.02 116.82 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.076 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -113.28 101.25 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.531 ' CD2' HG23 ' A' ' 38' ' ' THR . 1.4 mp -101.08 168.59 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.974 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -21.15 19.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.632 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -142.67 115.17 8.52 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 11' ' ' GLN . . . 72.28 154.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.357 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -126.54 137.55 53.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.3 162.68 24.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -129.8 135.12 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.77 132.11 56.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.692 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.64 157.07 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.028 0.442 . . . . 0.0 111.724 -179.428 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.82 144.43 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.625 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.52 117.54 32.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.79 147.94 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -59.78 -35.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.533 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 2.8 p30 -121.43 -167.63 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.693 0.282 . . . . 0.0 110.742 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.24 -30.97 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.98 -39.72 19.07 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.156 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -27.17 55.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.341 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.86 -36.89 49.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -67.56 -60.25 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.541 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -56.79 -42.34 79.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.27 -42.44 93.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.519 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.3 m-30 -65.43 -42.18 92.74 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.69 81.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.23 -38.95 92.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.356 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.9 tp -80.07 -33.48 14.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.03 -62.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.643 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -35.11 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -23.88 62.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.467 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.26 -1.73 15.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.582 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.531 HG23 ' CD2' ' A' ' 9' ' ' LEU . 2.9 m -163.77 168.56 19.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 39' ' ' VAL . 16.2 t -148.64 37.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.13 129.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.54 169.08 32.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.45 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 55' ' ' THR . 10.9 m -104.39 109.97 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.162 0.506 . . . . 0.0 110.246 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -69.33 127.64 33.76 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.384 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 70.4 p -151.35 158.69 44.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.38 146.47 33.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.022 0.439 . . . . 0.0 111.174 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.02 132.23 55.47 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.8 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -89.52 115.61 27.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 163.84 -62.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.004 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.524 ' O ' HG22 ' A' ' 49' ' ' ILE . 13.5 mt -118.28 16.74 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.55 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.98 88.21 0.07 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 45' ' ' TYR . 27.1 m -143.1 144.34 32.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.186 0.517 . . . . 0.0 112.184 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -127.83 156.93 41.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.846 179.296 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 6' ' ' ILE . 57.8 m -146.46 150.97 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.187 0.518 . . . . 0.0 111.725 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.563 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.75 103.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.012 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.531 ' O ' HG22 ' A' ' 42' ' ' VAL . 38.9 m -106.21 129.25 54.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.833 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 29.3 tt0 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.699 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -119.6 125.91 49.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 13.3 m-85 -128.48 141.89 51.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 150.34 52.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.762 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.9 tp -129.78 131.5 46.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.762 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.8 mp -110.14 107.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.796 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.717 HD21 HD21 ' A' ' 5' ' ' LEU . 1.2 mt -94.67 128.09 41.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.2 101.4 6.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.96 179.19 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -81.81 61.02 4.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.976 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.84 -48.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.83 -167.62 2.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 146.34 40.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.71 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -132.31 134.07 44.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.742 179.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -104.49 124.35 49.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.349 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.56 132.27 54.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.303 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -135.72 151.18 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.539 -179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.483 ' NZ ' HG22 ' A' ' 25' ' ' THR . 1.3 tttp -168.84 148.21 4.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.635 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.05 118.51 36.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.73 160.57 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.16 20.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.719 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.41 -166.77 1.59 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.68 0.276 . . . . 0.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.99 -39.73 3.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 -31.65 9.82 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.037 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.483 HG22 ' NZ ' ' A' ' 18' ' ' LYS . 23.3 m -82.44 -28.26 31.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.427 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.43 -43.06 28.26 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.49 -58.49 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.53 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -40.47 69.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.51 -50.04 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.167 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 m-85 -61.21 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.936 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -57.89 -32.81 68.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.143 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.19 -38.66 75.39 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.146 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.1 tp -81.03 -32.61 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -61.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.669 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -34.78 66.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.65 -22.31 56.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.38 -33.23 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 0.0 111.23 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -147.02 173.85 12.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.5 p -140.0 33.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.44 132.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.483 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 170.78 174.3 38.59 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 55' ' ' THR . 2.7 t -103.13 105.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 0.0 110.306 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -70.33 97.94 1.32 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.491 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 47.6 p -116.65 158.64 23.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.358 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.33 146.37 33.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 0.1 OUTLIER -116.99 137.25 52.34 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.819 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.32 121.48 31.64 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.968 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 164.34 -62.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.249 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 49' ' ' ILE . 21.8 mt -126.31 19.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.414 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.94 89.9 0.08 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.426 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 14.5 t -141.62 143.56 33.72 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.354 -0.538 . . . . 0.0 112.167 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -128.11 157.34 41.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.229 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.9 m -146.41 150.63 36.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.57 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -130.53 102.91 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.375 0.607 . . . . 0.0 110.259 179.229 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.795 ' O ' HG23 ' A' ' 42' ' ' VAL . 6.8 m -100.18 124.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.358 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.665 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.841 0.353 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.748 HG22 ' HG3' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -97.32 112.46 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 62.9 m-85 -100.81 148.63 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' HB2' HG23 ' A' ' 51' ' ' THR . 10.9 mttp -137.33 150.48 47.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.965 0.412 . . . . 0.0 111.221 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 6' ' ' ILE . 2.0 tp -129.61 118.1 21.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.947 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 5' ' ' LEU . 35.1 mm -92.86 107.48 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.424 HD21 HD21 ' A' ' 5' ' ' LEU . 53.3 mt -91.98 125.93 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.403 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.21 100.89 6.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.489 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -114.47 179.48 3.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.974 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.48 17.74 2.54 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.494 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -149.48 80.36 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 11' ' ' GLN . . . 68.31 146.95 0.05 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.64 150.62 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.9 140.23 32.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -113.48 125.84 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.59 132.06 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -140.49 153.3 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 111.503 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HE2' ' CD2' ' A' ' 29' ' ' TYR . 2.2 ttpp -168.89 144.16 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.629 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.748 ' HG3' HG22 ' A' ' 2' ' ' THR . 8.4 mp0 -96.52 122.59 39.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.85 147.71 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 22' ' ' ASP . 20.2 m -59.87 -47.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.345 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 21' ' ' VAL . 13.8 p-10 -114.49 -167.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.82 -31.31 11.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.07 -30.92 10.42 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -29.24 44.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.557 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.16 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -64.52 -59.62 4.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.455 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.88 -40.65 73.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CD2' ' HE2' ' A' ' 18' ' ' LYS . 31.6 t80 -70.94 -46.07 63.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.351 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 33' ' ' ILE . 9.0 m-30 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 109.844 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -60.51 -30.7 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.397 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.27 -38.09 63.52 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.364 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -74.76 -40.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 110.979 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.16 -57.13 13.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.683 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.949 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -54.74 -34.5 62.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 5.77 49.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.706 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -40.71 5.64 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.465 0.174 . . . . 0.0 111.373 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.502 ' C ' HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -168.53 -50.11 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.259 0.552 . . . . 0.0 111.602 -179.8 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 35' ' ' ASN . 3.6 t 77.9 63.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.057 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.06 121.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.428 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 157.43 -178.71 33.65 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.726 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 55' ' ' THR . 11.5 t -104.59 108.83 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.394 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -69.11 108.75 3.71 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.431 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 81.8 p -126.88 154.49 44.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.464 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -143.14 144.05 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.321 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.69 140.19 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.524 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.46 -3.78 58.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.494 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.49 -35.14 52.27 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.605 0.241 . . . . 0.0 111.121 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -166.99 32.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.246 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 7.6 mmtp 56.41 83.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.389 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 4' ' ' LYS . 92.6 m -147.59 134.05 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.345 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -111.26 159.64 17.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.514 179.791 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.442 HG23 ' HB ' ' A' ' 6' ' ' ILE . 92.5 m -146.54 154.24 41.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.993 0.425 . . . . 0.0 110.987 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.586 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -134.72 101.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 0.0 110.167 179.172 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 42' ' ' VAL . 57.2 m -100.51 124.37 45.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.475 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.808 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.877 HG23 ' HG2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -86.36 101.32 12.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 57.1 m-85 -80.58 149.03 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.721 ' HG2' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -127.42 151.24 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 111.156 -179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 7' ' ' LEU . 6.6 tp -138.16 117.65 12.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.001 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 53' ' ' THR . 36.9 mm -98.91 114.93 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 5' ' ' LEU . 4.9 mt -105.32 125.64 51.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.692 ' HB3' HG23 ' A' ' 55' ' ' THR . 6.0 t-20 -118.45 116.49 26.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.794 ' CD2' HG23 ' A' ' 38' ' ' THR . 0.8 OUTLIER -114.19 178.98 4.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -93.97 47.1 1.2 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.66 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 -169.92 3.12 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.764 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.57 127.4 29.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -111.26 136.7 49.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.763 179.789 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -109.24 119.82 40.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.49 132.06 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.307 179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.721 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -143.31 161.09 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.655 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' CD ' ' CG ' ' A' ' 29' ' ' TYR . 2.7 tttp -168.79 148.73 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.877 ' HG2' HG23 ' A' ' 2' ' ' THR . 4.2 mt-10 -111.35 111.92 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.07 149.75 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.6 m -59.9 -46.57 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.9 p30 -106.54 -167.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.782 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.66 -33.38 9.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.83 -31.09 9.71 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.229 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -80.2 -29.46 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.541 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -76.77 -42.17 41.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -58.44 6.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.398 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -40.91 72.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.452 ' CG ' ' CD ' ' A' ' 18' ' ' LYS . 21.6 t80 -69.98 -45.2 67.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.307 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 5' ' ' LEU . 3.0 m-30 -62.37 -43.76 98.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.012 0.434 . . . . 0.0 109.958 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -30.93 66.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.37 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.6 -38.37 62.61 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.657 0.265 . . . . 0.0 111.481 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.6 tp -79.21 -39.24 20.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.883 0.373 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.71 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.652 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -37.62 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.83 59.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.672 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 10.06 13.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.542 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.794 HG23 ' CD2' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -165.88 173.32 10.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.041 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' H ' HG22 ' A' ' 38' ' ' THR . 17.3 m -154.4 25.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.64 133.64 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.64 172.01 35.81 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 42' ' ' VAL . 13.4 p -108.81 109.44 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 0.0 110.331 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -67.19 127.1 31.35 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.487 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -146.3 159.84 42.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.959 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.0 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.44 . . . . 0.0 111.236 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 3.0 ttpp -120.67 137.85 54.24 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.688 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.16 125.19 33.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.321 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 163.17 -61.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.381 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.24 23.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.258 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.78 84.53 0.13 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.674 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 2.7 t -133.38 140.64 47.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.97 0.414 . . . . 0.0 111.707 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -123.85 162.12 23.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.499 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 6' ' ' ILE . 65.3 m -146.59 151.34 37.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 111.347 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.55 105.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.297 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.692 HG23 ' HB3' ' A' ' 8' ' ' ASN . 2.2 m -109.47 129.27 55.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.591 -179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.718 179.645 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.838 0.351 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 p -131.19 106.41 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.489 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 20.1 m-85 -102.04 149.1 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.749 ' HG2' HG22 ' A' ' 17' ' ' ILE . 9.4 mttp -129.19 151.34 49.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.188 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.894 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 1.9 tp -130.98 118.63 20.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.871 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.7 mp -100.28 121.35 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.704 ' CD2' HD11 ' A' ' 5' ' ' LEU . 13.6 mt -112.14 130.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.871 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.769 ' C ' HD13 ' A' ' 9' ' ' LEU . 7.1 t-20 -121.53 101.0 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.769 HD13 ' C ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -114.32 179.23 4.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.798 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.94 51.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.839 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.91 73.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.926 0.393 . . . . 0.0 110.464 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.3 144.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 144.93 24.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.76 132.21 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -102.44 127.93 49.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.304 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.894 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.46 135.17 50.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.133 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.749 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -138.95 157.93 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -168.76 146.26 3.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.554 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.98 109.78 19.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.0 168.31 18.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.668 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.8 p -93.32 20.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.683 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 1.1 t70 -171.55 -167.72 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.766 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.66 -36.41 7.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.66 -30.34 8.61 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.247 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -28.02 32.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.652 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.64 -41.23 46.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -68.39 -59.91 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.501 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -54.61 -36.13 64.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -72.63 -49.35 32.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 110.634 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.2 m-85 -61.44 -42.33 98.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.94 0.4 . . . . 0.0 109.979 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.85 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.042 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -69.14 -39.15 79.02 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.661 -179.65 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 30' ' ' PHE . 7.8 tp -76.17 -36.8 31.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -72.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.597 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -51.36 -27.84 10.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.923 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -70.31 -20.29 63.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.384 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -169.98 57.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.9 0.381 . . . . 0.0 111.299 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' HG12 ' A' ' 39' ' ' VAL . 95.1 m -164.69 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.608 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.3 p 42.86 42.91 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.769 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.82 111.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.658 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 159.84 173.13 27.94 Favored Glycine 0 C--N 1.329 0.169 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.656 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 55' ' ' THR . 20.4 t -103.96 107.06 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.267 0.556 . . . . 0.0 110.13 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -65.34 119.07 10.28 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.648 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -140.06 164.65 29.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.31 143.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -109.64 132.31 54.26 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.533 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.01 118.24 26.26 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.235 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 164.21 -62.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.274 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.516 ' O ' HG22 ' A' ' 49' ' ' ILE . 15.9 mt -124.81 22.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.448 179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 7.9 mmtt 57.93 83.85 0.11 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.708 HG22 ' HB2' ' A' ' 4' ' ' LYS . 66.1 p -134.91 140.73 45.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.064 0.459 . . . . 0.0 111.659 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 8.3 m-85 -118.36 159.73 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 6' ' ' ILE . 98.8 m -146.59 152.85 39.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.424 . . . . 0.0 111.39 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -135.55 102.71 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.184 179.056 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -94.39 119.89 33.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.366 -178.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.465 179.745 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.734 HG22 ' HG2' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -130.04 101.3 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.466 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 35.2 m-85 -85.12 148.36 26.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -129.0 148.99 51.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 7' ' ' LEU . 5.1 tp -130.14 117.64 20.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.869 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 53' ' ' THR . 42.1 mm -97.39 110.08 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 5' ' ' LEU . 1.5 mt -102.4 128.77 48.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.461 ' HB2' HG23 ' A' ' 55' ' ' THR . 7.8 m120 -127.07 103.22 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.65 176.25 5.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.29 0.567 . . . . 0.0 111.085 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -22.44 22.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.57 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.43 110.14 8.09 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.471 . . . . 0.0 111.623 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.19 178.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.246 0.546 . . . . 0.0 111.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -139.25 147.33 41.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.82 139.66 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.768 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.58 120.06 40.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.278 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.55 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.692 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -141.33 160.81 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.423 . . . . 0.0 111.475 -179.633 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -168.8 150.58 4.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.614 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.734 ' HG2' HG22 ' A' ' 2' ' ' THR . 15.9 mt-10 -102.84 116.01 31.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.81 141.38 36.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.195 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.3 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -112.56 -167.1 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.21 -35.32 9.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.78 -32.71 11.55 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.136 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 m -79.74 -28.05 40.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.458 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -77.86 -41.0 38.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.51 -58.04 6.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -55.63 -39.38 70.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.95 -44.47 63.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.36 . . . . 0.0 110.244 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.1 m-30 -62.72 -43.83 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.082 0.468 . . . . 0.0 109.808 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -34.36 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.008 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.91 -38.59 79.67 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.109 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -81.76 -35.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 179.755 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 -64.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -34.8 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.335 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -66.99 -58.19 5.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.705 0.288 . . . . 0.0 111.475 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.54 18.71 9.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.663 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.42 146.07 10.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.786 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 39' ' ' VAL . 14.6 t -139.91 29.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.319 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -179.2 126.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.45 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 171.26 170.11 34.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.507 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 55' ' ' THR . 11.8 m -106.54 110.98 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.331 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -67.3 130.03 41.77 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.491 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 3.9 p -151.21 158.71 44.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.149 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.35 139.04 29.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.966 0.412 . . . . 0.0 111.256 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HB2' HG23 ' A' ' 51' ' ' THR . 2.1 mtmm -106.87 132.58 52.67 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -88.27 119.09 28.35 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.977 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 163.99 -62.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.241 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 pp -122.24 17.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.99 87.24 0.09 Allowed 'General case' 0 C--O 1.231 0.115 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.443 HG23 ' HB2' ' A' ' 46' ' ' LYS . 1.6 t -142.88 141.55 31.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 111.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 1.4 m-85 -120.3 161.27 21.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 6' ' ' ILE . 100.0 m -146.67 148.6 32.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.613 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -135.65 104.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.975 179.041 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.4 m -109.9 133.12 53.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.67 -178.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.713 179.544 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.435 ' HB ' ' CE1' ' A' ' 3' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 19' ' ' GLU . 64.4 p -89.05 123.21 33.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.435 ' CE1' ' HB ' ' A' ' 1' ' ' THR . 57.5 m-85 -109.6 145.65 36.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -133.25 150.66 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 6' ' ' ILE . 1.5 tp -129.73 130.8 45.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.093 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.879 ' N ' HD12 ' A' ' 5' ' ' LEU . 34.7 mm -107.31 107.37 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.641 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 5' ' ' LEU . 7.1 mt -98.43 127.38 44.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.32 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -127.18 101.11 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 11' ' ' GLN . 0.7 OUTLIER -114.41 179.39 3.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.873 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.04 46.4 1.32 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' N ' HD12 ' A' ' 9' ' ' LEU . 11.9 tt0 179.67 78.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.457 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.89 139.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 149.16 21.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.29 135.52 48.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.775 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.85 125.7 53.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 111.26 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.57 140.2 43.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.227 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 pt -152.05 151.02 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 0.0 111.728 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.79 140.35 2.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HB3' HG22 ' A' ' 2' ' ' THR . 9.6 pt-20 -99.98 121.01 40.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.64 151.48 49.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.15 -46.44 96.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.144 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -104.18 -168.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.823 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.29 -32.9 7.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.329 . . . . 0.0 111.115 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.88 -28.09 7.02 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.311 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -78.56 -30.76 47.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.27 -39.22 65.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.796 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.91 -59.7 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.661 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -56.48 -41.2 76.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.14 -51.33 61.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.41 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.46 ' O ' HG22 ' A' ' 33' ' ' ILE . 7.5 m-30 -60.98 -42.49 98.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.178 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -30.47 68.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -73.45 -38.31 65.53 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.633 0.254 . . . . 0.0 111.471 -179.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -79.2 -33.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.942 0.401 . . . . 0.0 111.046 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -33.24 64.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.362 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.71 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.734 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -98.31 -31.88 11.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.92 165.84 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.3 m -138.69 64.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.7 109.23 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 171.92 174.86 39.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.533 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.1 m -106.02 110.91 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 0.0 110.631 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -70.49 127.75 33.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.296 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.518 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -149.36 154.56 39.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.124 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 2.0 t80 -143.16 141.78 31.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 111.292 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.7 126.58 50.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.538 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -73.78 -12.89 60.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.474 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.81 -33.41 7.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.986 0.422 . . . . 0.0 111.435 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -160.46 27.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.344 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 51.95 89.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.193 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -160.18 136.3 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.032 0.444 . . . . 0.0 111.369 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.556 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -107.88 161.95 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.521 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' ILE . 69.9 m -146.66 151.19 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.58 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.57 103.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.131 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.47 ' HB ' HG22 ' A' ' 42' ' ' VAL . 4.9 m -108.4 130.3 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.599 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.623 179.638 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 t -101.69 117.35 34.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 62.4 m-85 -102.66 149.06 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 51' ' ' THR . 0.9 OUTLIER -134.31 149.21 50.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 tp -130.68 127.95 39.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.136 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.703 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.4 mp -111.47 124.75 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.629 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 54' ' ' VAL . 2.3 mt -111.12 130.98 55.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.62 HD21 HG22 ' A' ' 6' ' ' ILE . 1.2 m-80 -126.97 110.12 12.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.621 HD21 ' CB ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -113.52 178.21 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -90.08 52.16 2.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.057 0.456 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.46 -40.6 0.01 OUTLIER 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.384 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.36 177.67 10.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.084 0.469 . . . . 0.0 111.078 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.21 153.94 47.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -143.71 141.51 30.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -117.31 126.38 52.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.52 140.85 42.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.164 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -151.93 149.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.07 0.462 . . . . 0.0 111.835 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -168.85 152.67 5.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.583 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -105.61 114.17 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.93 167.84 10.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.339 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.3 m -93.28 20.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.755 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 2.8 m-20 -170.53 -87.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.797 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 22' ' ' ASP . . . 171.97 -38.35 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.029 0.442 . . . . 0.0 110.973 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.43 -29.11 7.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.616 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.56 -27.65 37.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.582 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.33 -39.77 59.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.541 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.8 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.494 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -55.35 -38.04 68.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -72.85 -43.82 62.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.037 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.6 m-30 -62.5 -41.82 99.09 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.69 -33.14 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.574 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -71.62 -38.58 70.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.387 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.9 tp -78.49 -34.49 18.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.68 1.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -27.72 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.488 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.18 -17.73 32.0 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -30.25 10.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 111.208 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.621 ' CB ' HD21 ' A' ' 9' ' ' LEU . 1.6 t -150.76 174.3 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.967 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.8 t -152.01 47.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.26 117.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.429 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.75 172.83 36.7 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.372 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 55' ' ' THR . 10.7 m -102.54 112.12 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.083 0.468 . . . . 0.0 110.558 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -72.24 90.08 1.22 Allowed 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.597 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.7 p -106.82 153.46 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 2.2 t80 -143.34 145.71 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 0.0 111.069 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -120.45 140.68 51.03 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.8 m-20 -87.74 172.45 9.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 3.2 mm-40 85.49 -34.03 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.77 0.669 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.62 -17.38 5.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.235 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 2.7 mmtt 62.63 79.57 0.25 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.817 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 4' ' ' LYS . 98.4 m -148.72 137.93 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.018 0.437 . . . . 0.0 111.696 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -114.87 159.53 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.444 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 6' ' ' ILE . 85.4 m -146.52 148.78 32.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.654 0.264 . . . . 0.0 111.16 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.583 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -126.13 103.27 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.31 0.576 . . . . 0.0 110.293 179.404 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 8' ' ' ASN . 1.2 m -108.52 129.62 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.54 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--O 1.256 1.409 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.823 179.698 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.79 107.02 15.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 53.4 m-85 -80.28 149.08 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.774 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -133.44 149.8 51.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.072 0.463 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 7' ' ' LEU . 2.4 tp -127.06 131.86 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.832 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.807 ' N ' HD12 ' A' ' 5' ' ' LEU . 44.8 mm -107.29 110.02 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 5' ' ' LEU . 3.4 mt -102.94 120.7 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.949 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -127.02 106.53 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.29 179.07 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -83.65 62.15 6.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -177.86 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.085 0.469 . . . . 0.0 111.453 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.24 158.76 33.2 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.33 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -110.26 123.0 48.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -110.02 141.87 42.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.79 179.613 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.37 126.93 52.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.798 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -109.7 140.18 43.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.184 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 pt -152.04 154.44 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.124 0.488 . . . . 0.0 111.628 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -168.82 136.7 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.547 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -92.61 109.39 20.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.68 139.23 36.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.5 m -59.8 -46.45 93.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.339 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' HG23 ' A' ' 21' ' ' VAL . 11.3 p-10 -101.54 -168.8 1.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.06 -30.91 7.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.289 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -35.29 14.1 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.3 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -78.67 -27.85 45.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.95 -38.32 45.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.692 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.64 -59.65 3.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.79 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -39.33 71.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.25 -49.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.507 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.6 m-85 -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.986 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -31.39 67.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -72.09 -38.5 69.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.211 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -79.85 -33.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.09 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -54.74 -32.2 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.51 -24.84 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.84 -35.03 14.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.29 -175.48 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 39' ' ' VAL . 17.3 t -150.18 40.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.2 128.44 0.87 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.218 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.573 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 167.34 172.1 34.12 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 55' ' ' THR . 22.0 t -105.64 107.85 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.484 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -69.62 128.69 37.35 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.401 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 2.2 p -151.14 156.35 40.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 2.9 t80 -143.39 142.8 31.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.071 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -120.38 142.83 48.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.821 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 2.1 t0 -86.68 178.52 7.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 1.9 mm-40 85.16 -34.44 0.05 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.832 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.718 HD12 ' CG2' ' A' ' 51' ' ' THR . 1.5 pt -130.68 -5.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.639 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.41 87.43 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.715 0.293 . . . . 0.0 111.306 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.718 ' CG2' HD12 ' A' ' 49' ' ' ILE . 26.4 p -155.14 139.18 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.701 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.8 163.26 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.421 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 6' ' ' ILE . 81.4 m -146.23 151.29 37.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.156 -0.34 . . . . 0.0 111.65 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.573 HG22 ' HA3' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -135.65 103.25 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.462 0.649 . . . . 0.0 110.375 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.9 m -104.69 125.64 50.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.51 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.601 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.744 0.306 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -140.19 134.09 30.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.595 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 26.8 m-85 -122.03 149.96 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' CB ' HG22 ' A' ' 17' ' ' ILE . 5.0 mttt -132.71 150.13 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 6' ' ' ILE . 5.8 tp -131.0 123.78 29.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.977 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 5' ' ' LEU . 30.9 mm -103.18 112.5 36.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 14' ' ' GLU . 2.8 mt -98.89 124.6 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.713 ' HB3' HG22 ' A' ' 55' ' ' THR . 7.6 t-20 -127.2 101.13 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -110.94 178.84 4.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -88.34 55.96 3.63 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.763 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -167.13 -49.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.221 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.72 -169.34 2.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.17 139.05 49.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.35 0.595 . . . . 0.0 110.709 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -133.38 135.4 44.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -114.97 127.03 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.05 133.03 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.328 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.459 HG22 ' CB ' ' A' ' 4' ' ' LYS . 10.3 pt -151.7 148.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HE2' ' CZ ' ' A' ' 29' ' ' TYR . 2.1 ttpp -168.93 145.19 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.509 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 2.4 mt-10 -89.96 128.6 36.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.47 157.27 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 22' ' ' ASP . 3.2 p -62.51 -49.74 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' N ' HG13 ' A' ' 21' ' ' VAL . 6.6 p-10 -119.73 -167.47 1.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.755 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . . . -94.92 -34.03 12.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.065 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.99 -29.93 8.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.395 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -80.59 -28.9 36.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.857 0.361 . . . . 0.0 110.573 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -79.29 -42.9 24.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.611 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.41 -60.93 2.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.211 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -36.65 65.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.278 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CZ ' ' HE2' ' A' ' 18' ' ' LYS . 39.8 t80 -75.98 -38.77 57.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.883 0.373 . . . . 0.0 110.263 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' O ' HG22 ' A' ' 33' ' ' ILE . 4.0 m-30 -67.11 -43.36 82.67 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -60.53 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.954 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -59.58 -41.86 91.16 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.279 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.851 HD11 ' NZ ' ' A' ' 37' ' ' LYS . 9.9 tp -74.59 -29.9 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.905 0.384 . . . . 0.0 110.803 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' THR . . . -58.73 -72.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.884 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -12.64 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -79.32 -20.51 47.72 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.851 ' NZ ' HD11 ' A' ' 33' ' ' ILE . 2.1 ptpp? -144.3 -38.89 0.29 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.519 HG21 HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -92.9 176.19 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 0.0 110.95 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -173.76 131.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.106 0.479 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.07 123.92 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.499 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.61 173.1 36.85 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.78 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 55' ' ' THR . 23.8 t -107.39 107.29 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.117 0.484 . . . . 0.0 110.518 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -67.93 112.03 4.71 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.591 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -130.86 160.13 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.201 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -143.43 147.5 34.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD3' HG23 ' A' ' 51' ' ' THR . 13.6 mtpt -117.89 133.55 55.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.99 121.5 29.54 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 pt-20 163.27 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.385 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 49' ' ' ILE . 24.3 mm -124.48 20.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.371 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 58.89 86.99 0.08 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.554 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.459 HG23 ' HD3' ' A' ' 46' ' ' LYS . 3.5 t -140.36 143.73 35.9 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.95 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.9 m-85 -124.69 160.44 28.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.45 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 6' ' ' ILE . 66.3 m -146.59 153.19 40.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.562 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -135.6 103.91 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.347 0.594 . . . . 0.0 110.177 179.236 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.713 HG22 ' HB3' ' A' ' 8' ' ' ASN . 4.2 p -106.58 128.56 54.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.732 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.973 179.648 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.69 0.281 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 t -101.54 132.13 47.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.749 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 31.7 m-85 -118.91 149.52 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HA ' HG22 ' A' ' 17' ' ' ILE . 52.2 mttt -130.45 150.17 51.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.96 0.41 . . . . 0.0 111.186 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.77 HD12 ' N ' ' A' ' 6' ' ' ILE . 3.8 tp -130.91 133.66 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.228 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.77 ' N ' HD12 ' A' ' 5' ' ' LEU . 2.4 mp -105.06 115.23 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.594 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.726 HD23 HG12 ' A' ' 54' ' ' VAL . 62.6 mt -103.91 127.85 51.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.329 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -122.07 101.27 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.509 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.791 HD21 HG22 ' A' ' 38' ' ' THR . 1.1 mt -112.99 179.28 4.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -88.92 46.03 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.002 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -179.73 83.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.85 147.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -89.11 136.57 32.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -123.24 144.62 49.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -124.14 125.51 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.5 138.38 45.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 4' ' ' LYS . 10.3 pt -151.93 161.73 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.018 0.437 . . . . 0.0 111.67 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.809 ' HE2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -168.8 166.08 11.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.998 -179.286 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.56 129.19 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.019 0.438 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.809 ' HB2' ' HE2' ' A' ' 18' ' ' LYS . . . -139.82 178.98 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.776 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -92.28 20.81 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.834 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.45 -165.48 0.33 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.749 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -109.25 -40.67 4.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.531 0.205 . . . . 0.0 111.066 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.52 -29.08 11.02 Favored Glycine 0 CA--C 1.511 -0.216 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.89 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -75.4 -29.93 59.96 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.484 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.53 -36.6 63.17 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.4 tt0 -68.3 -74.76 0.12 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.42 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.09 -30.57 1.94 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.809 -179.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.411 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 9.9 t80 -78.83 -45.55 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.8 m-30 -63.36 -40.85 98.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -40.24 89.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.87 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.12 -41.14 92.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.966 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 30' ' ' PHE . 6.3 tp -77.59 -29.41 16.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.802 0.334 . . . . 0.0 110.83 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.38 -64.96 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -25.17 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.873 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.35 -67.49 0.79 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.83 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -69.41 -30.18 68.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.966 -179.114 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 37' ' ' LYS . 17.6 p -118.6 176.57 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.196 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.625 ' O ' HG22 ' A' ' 39' ' ' VAL . 13.9 p -166.63 31.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -176.82 124.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.967 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.702 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 169.21 169.57 32.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.925 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 55' ' ' THR . 3.8 t -102.03 107.66 22.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.294 0.569 . . . . 0.0 109.967 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -69.44 126.82 30.93 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.719 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.481 HG22 ' HB ' ' A' ' 53' ' ' THR . 7.3 t -151.6 155.16 37.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.458 ' CE2' ' HA ' ' A' ' 50' ' ' LYS . 1.3 t80 -143.4 147.99 35.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 111.191 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.55 137.84 54.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.632 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 4.8 t0 -88.07 166.91 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 5.2 tp10 90.94 -33.2 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.358 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.27 -15.96 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 61.46 80.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -151.5 141.21 21.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.723 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.529 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -114.94 163.76 15.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.431 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.481 ' HB ' HG22 ' A' ' 44' ' ' THR . 62.5 m -146.39 150.94 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.841 0.353 . . . . 0.0 111.551 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.726 HG12 HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -135.64 100.58 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.206 0.527 . . . . 0.0 110.43 179.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 26.6 m -94.96 117.61 30.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.684 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.724 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.5 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.4 HG23 ' CB ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -95.06 130.21 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 24.5 m-85 -120.49 146.63 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.549 ' HB2' HG22 ' A' ' 51' ' ' THR . 12.3 mttp -125.51 148.98 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.944 0.402 . . . . 0.0 111.188 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 6' ' ' ILE . 1.7 tp -127.63 131.48 49.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.181 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.871 ' N ' HD12 ' A' ' 5' ' ' LEU . 3.4 mp -111.68 107.59 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.833 HD21 HD21 ' A' ' 5' ' ' LEU . 1.1 mt -97.99 123.68 42.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.25 104.15 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -95.0 179.44 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -47.39 7.87 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.16 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 13.8 tt0 -144.6 66.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 111.65 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.742 ' HB3' HD11 ' A' ' 9' ' ' LEU . . . 168.4 152.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.27 124.51 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.82 135.49 53.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.639 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -111.78 117.07 31.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.273 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.49 130.41 55.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.697 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -139.1 152.54 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 111.556 -179.412 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.86 152.81 5.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.562 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' CB ' HG23 ' A' ' 2' ' ' THR . 7.2 tm-20 -112.45 137.61 50.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.8 177.07 8.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 111.339 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 22' ' ' ASP . 28.3 m -64.09 -47.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.844 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.492 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.1 m-20 -121.76 -75.17 0.6 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.34 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.672 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -178.45 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.04 -29.52 3.42 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -32.4 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.1 63.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 110.707 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 28' ' ' LYS . 3.7 tt0 -64.74 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -47.5 -30.01 3.17 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.484 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.1 t80 -78.04 -46.86 19.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' O ' HG22 ' A' ' 33' ' ' ILE . 5.7 m-30 -62.57 -40.89 98.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -60.43 -37.05 79.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.935 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.37 -39.43 93.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.284 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -76.55 -34.39 24.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.387 . . . . 0.0 110.544 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.12 -59.41 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.374 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.611 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -55.69 -33.73 64.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.836 179.657 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.1 6.15 47.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.425 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.705 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -101.59 -37.34 8.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.143 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -176.27 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.39 0.138 . . . . 0.0 111.219 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG22 ' HA ' ' A' ' 35' ' ' ASN . 13.8 t 74.58 63.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.95 118.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA3' HG22 ' A' ' 54' ' ' VAL . . . 164.53 175.86 35.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.617 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.6 m -107.13 111.08 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.174 0.512 . . . . 0.0 110.534 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -66.68 113.57 4.92 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.164 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 1.2 p -134.07 164.58 27.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -143.36 148.43 36.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.026 0.441 . . . . 0.0 111.1 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -115.39 131.56 56.89 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.648 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 12.7 t70 -88.75 121.55 31.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.111 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 2.4 mm-40 155.55 -52.81 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.466 0.707 . . . . 0.0 110.279 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 49' ' ' ILE . 1.9 mp -130.18 16.59 2.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 178.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 57.1 86.37 0.07 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 4' ' ' LYS . 76.9 p -140.03 129.21 23.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.997 0.427 . . . . 0.0 111.719 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 3.9 m-85 -106.31 158.85 16.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 6' ' ' ILE . 92.7 m -146.55 151.44 37.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.987 0.422 . . . . 0.0 111.37 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.575 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -133.64 101.73 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.124 179.033 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HB ' HG22 ' A' ' 42' ' ' VAL . 3.0 m -103.2 129.24 50.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.641 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.673 179.702 . . . . . . . . 0 0 . 1 stop_ save_