data_7k3g_residue ############################ # Computer software used # ############################ 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 7k3g _Structure_validation_residue.Date_analyzed 2020-10-02 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.188 0 CA-C-O 120.55 0.214 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -49.6 -39.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.397 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.38 -59.37 5.55 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.34 0.591 . . . . 0.0 111.399 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -59.83 -36.08 76.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.497 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.77 -46.64 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.211 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.24 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.66 -23.99 13.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.913 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -17.87 4.51 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.6 6.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.78 39.48 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.96 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -31.86 64.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.058 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -30.29 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.453 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.44 -58.27 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.25 -25.38 61.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.239 0.542 . . . . 0.0 109.824 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tt -70.61 -39.35 73.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.202 0.525 . . . . 0.0 110.205 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.31 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.73 -28.9 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.308 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.93 75.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.22 -40.14 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.981 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.8 mm -84.46 -24.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.01 -29.46 12.52 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.222 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.78 -21.29 13.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.478 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.23 -3.99 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.536 -179.387 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.215 0 CA-C-O 120.476 0.179 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 m -49.68 -39.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.337 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.11 -59.94 4.67 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.371 0.605 . . . . 0.0 111.33 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -59.48 -35.99 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.549 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.84 -46.62 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.182 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -56.02 -31.16 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.67 -23.98 13.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.917 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.14 -17.69 4.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.988 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -19.48 6.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.76 40.95 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.893 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.87 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.06 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.76 -30.33 49.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.42 -58.31 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.27 -25.3 61.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.237 0.541 . . . . 0.0 109.783 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.66 -39.45 73.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.203 0.525 . . . . 0.0 110.174 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.03 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.63 -28.96 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.386 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.89 75.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.28 -40.11 71.12 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.69 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 33.9 mm -84.56 -24.41 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.03 -29.49 12.77 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.194 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.25 13.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.481 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.21 -4.04 58.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.63 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 -179.371 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.224 -0.251 0 CA-C-O 120.515 0.197 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -49.62 -39.23 14.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.326 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.16 -59.88 4.75 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.37 0.605 . . . . 0.0 111.37 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.9 m -59.45 -36.09 75.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -58.79 -46.62 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.27 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.61 -24.1 12.97 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -17.78 4.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.979 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -19.39 6.22 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.519 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.25 -51.71 42.22 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.81 64.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 110.036 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -30.32 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.497 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.44 -58.29 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.23 -25.3 61.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.255 0.55 . . . . 0.0 109.854 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.63 -39.41 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.198 0.523 . . . . 0.0 110.269 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -47.43 86.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.071 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.71 -28.89 39.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.339 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.98 76.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.17 -40.12 71.47 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.975 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.64 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 33.8 mm -84.6 -24.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -29.43 13.39 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.26 13.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.18 -4.04 58.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.637 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.905 0.383 . . . . 0.0 110.525 -179.335 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.235 0 CA-C-O 120.527 0.203 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -49.65 -39.18 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.327 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.3 -59.45 5.44 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 111.411 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -59.77 -36.09 75.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.507 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.73 -46.68 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.214 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.93 -31.31 62.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.55 -24.06 12.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.934 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -17.85 4.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.01 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -19.56 6.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.533 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.11 -51.7 40.87 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -31.89 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.061 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.73 -30.29 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.49 -58.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.33 -25.37 61.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.267 0.556 . . . . 0.0 109.797 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.62 -39.38 73.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.166 0.508 . . . . 0.0 110.239 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.31 -47.5 85.75 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.7 -28.86 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.341 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -44.98 76.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.24 -40.1 71.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.966 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.79 76.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 34.0 mm -84.47 -24.42 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.45 12.8 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.237 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -104.77 -21.34 13.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.452 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.19 -3.98 58.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.637 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 -179.377 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.214 0 CA-C-O 120.504 0.192 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -49.65 -39.16 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.287 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -59.81 -58.3 9.15 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.303 0.573 . . . . 0.0 111.554 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -60.43 -36.08 77.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.83 -46.68 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.167 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.92 -31.24 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.69 -24.01 13.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.882 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -17.93 4.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.043 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.41 -19.91 6.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.501 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.76 38.41 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.917 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.86 64.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.076 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -30.3 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.39 -58.43 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.11 -25.41 61.33 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.6 -39.39 73.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.225 0.536 . . . . 0.0 110.226 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.37 -47.49 85.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.947 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.63 -28.93 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.406 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.35 -44.78 76.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.33 -40.09 70.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.939 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.05 77.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 34.1 mm -84.05 -24.61 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -29.44 12.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.243 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.74 -21.37 13.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.19 -4.0 58.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.602 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.325 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.913 0.387 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.12 -34.31 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.301 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -58.82 -49.14 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.299 0.571 . . . . 0.0 110.685 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.12 -30.47 71.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.194 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.431 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 98.2 t -68.35 -56.34 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.337 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.82 -19.67 2.67 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.655 0.597 . . . . 0.0 111.461 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -24.18 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 16.7 p90 -62.45 -8.22 5.81 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.135 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -15.67 4.22 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.184 -0.322 . . . . 0.0 111.234 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.11 -25.32 25.85 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -42.36 99.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.407 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -62.54 -27.03 42.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.7 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.45 -50.44 51.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.319 0.581 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -33.87 74.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.077 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.45 -44.56 95.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.364 0.602 . . . . 0.0 110.0 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -59.43 -36.39 75.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.711 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.4 -37.69 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.81 -29.77 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.56 . . . . 0.0 110.259 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.52 -45.82 13.14 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.85 90.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.35 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 tt -73.5 -33.03 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.593 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.65 -26.48 3.72 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.83 -30.8 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.458 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.99 86.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.076 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.169 -178.501 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.952 0.406 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 t -56.09 -34.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -58.94 -49.05 79.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.319 0.58 . . . . 0.0 110.608 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -62.14 -30.5 71.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.157 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.434 ' O ' ' HD2' ' B' ' 20' ' ' PHE . 97.8 t -68.39 -56.37 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.234 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.77 -19.67 2.63 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.565 0.54 . . . . 0.0 111.472 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -23.86 0.33 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.434 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 17.0 p90 -63.13 -7.14 5.09 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.845 -0.161 . . . . 0.0 111.157 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -15.19 5.33 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 122.232 -0.292 . . . . 0.0 111.064 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.47 -25.02 25.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.39 98.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 m -62.58 -27.08 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.602 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.39 -50.52 50.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.263 0.554 . . . . 0.0 110.704 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.91 74.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.132 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.52 -44.48 96.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.318 0.58 . . . . 0.0 109.947 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -59.38 -36.45 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.42 -37.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.64 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.66 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 110.315 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -45.84 13.06 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.82 90.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 110.371 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 tt -73.6 -33.06 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.501 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.66 -26.55 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.73 -30.78 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.521 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.97 86.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 CA--C 1.533 0.294 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.121 -178.511 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.892 0.377 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.16 -34.24 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.297 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -58.88 -48.91 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 110.659 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.25 -30.53 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.195 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.439 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 98.2 t -68.4 -56.35 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.292 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.77 -19.62 2.6 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.532 0.52 . . . . 0.0 111.468 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.89 -23.89 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.439 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 16.7 p90 -63.1 -7.12 4.95 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.163 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.25 -15.13 5.28 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 122.246 -0.284 . . . . 0.0 111.099 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.52 -25.04 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -42.42 98.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.328 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -62.5 -27.08 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.738 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -69.43 -50.52 50.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.734 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.8 74.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.137 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.59 -44.39 96.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.039 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.71 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.49 -37.61 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -29.76 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.263 0.554 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.44 -45.91 13.12 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.396 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 tt -73.6 -33.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.606 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.69 -26.42 3.73 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.82 -30.79 11.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.017 0.436 . . . . 0.0 110.52 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.96 85.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.111 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.531 0.248 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.146 -178.554 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.951 0.405 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.12 -34.31 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -58.83 -49.08 79.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 110.699 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.14 -30.55 71.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.188 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . 0.436 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 97.6 t -68.37 -56.36 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.254 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.76 -19.62 2.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.573 0.546 . . . . 0.0 111.507 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -24.06 0.36 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.088 0.243 . . . . 0.0 111.637 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.436 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 16.9 p90 -62.55 -8.18 5.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.141 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.29 -15.7 4.36 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.187 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.02 -25.36 26.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -42.42 99.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.57 -27.05 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.675 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.51 -50.31 51.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.696 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -33.73 74.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.099 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.38 96.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.325 0.583 . . . . 0.0 109.976 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -59.45 -36.38 75.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.694 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.42 -37.67 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.606 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.72 70.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.219 0.533 . . . . 0.0 110.238 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.5 -45.89 13.07 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.78 90.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.369 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 tt -73.56 -33.18 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.543 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -26.51 3.56 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -30.81 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.93 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.532 0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.113 -178.499 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.969 0.414 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -56.1 -34.33 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.251 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -58.92 -49.08 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.213 0.53 . . . . 0.0 110.597 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.04 -30.6 71.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . 0.431 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 98.2 t -68.35 -56.27 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -19.37 2.5 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.61 0.569 . . . . 0.0 111.515 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.27 -24.32 0.46 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.587 0.232 . . . . 0.0 111.586 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.431 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 15.5 p90 -59.99 -12.59 8.34 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.088 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.62 -17.91 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.152 -0.342 . . . . 0.0 111.623 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.835 0.35 . . . . 0.0 110.096 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.61 99.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.383 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.56 -26.95 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.662 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -69.51 -50.47 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.205 0.526 . . . . 0.0 110.649 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -33.76 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.128 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.34 96.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.315 0.578 . . . . 0.0 110.059 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.5 -36.34 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.71 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.37 -37.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.584 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -29.61 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.255 0.55 . . . . 0.0 110.306 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -45.95 13.02 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.82 90.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.355 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 tt -73.6 -33.04 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.531 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.85 -30.89 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 0.0 110.428 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.0 86.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.092 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.532 0.277 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.122 -178.525 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.754 0.311 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.58 -34.41 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.544 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.55 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.291 0.567 . . . . 0.0 111.039 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -58.29 -36.15 72.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.716 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -53.74 -48.59 60.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.78 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -20.94 60.47 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.601 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -17.45 0.39 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.22 -20.14 0.57 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 121.994 0.118 . . . . 0.0 110.98 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -18.4 4.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.725 0.297 . . . . 0.0 111.352 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.43 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.76 -50.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.56 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -54.5 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.326 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.26 -38.58 91.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.989 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.12 -41.13 96.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.73 -40.24 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -34.56 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.731 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.71 -48.15 78.35 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -38.93 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.77 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.504 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -33.1 43.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.611 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.45 -32.32 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.566 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.85 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.45 -21.15 66.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.436 0.636 . . . . 0.0 110.377 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.756 0.313 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.46 -34.47 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.538 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.42 -59.62 4.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.239 0.543 . . . . 0.0 111.067 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.35 -36.25 73.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.639 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -53.76 -48.56 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.779 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.15 -28.82 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.665 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -21.06 60.59 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.595 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -17.53 0.4 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.14 -20.13 0.54 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 122.044 0.138 . . . . 0.0 110.962 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -18.21 3.99 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 111.394 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -28.35 19.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -50.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -54.56 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.282 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.19 -38.59 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.972 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.08 -41.12 96.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.527 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.14 94.73 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.47 -34.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.683 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.062 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -39.04 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.63 -24.81 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.507 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -33.12 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.633 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.49 -32.24 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.534 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.78 -30.84 10.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.366 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.48 -21.12 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 121.412 0.625 . . . . 0.0 110.368 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.746 0.308 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.41 -34.5 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.564 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.45 -59.74 4.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.279 0.562 . . . . 0.0 110.981 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.23 -36.23 72.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.646 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -53.71 -48.59 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.804 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.19 -28.8 69.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -21.05 60.65 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -17.55 0.4 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.11 -20.08 0.52 Allowed 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.508 -0.12 . . . . 0.0 110.991 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -18.16 3.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.669 0.271 . . . . 0.0 111.334 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -28.29 19.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.87 -50.65 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.521 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -54.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.366 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.22 -38.52 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.013 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.471 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.77 -40.25 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -34.46 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.7 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -48.15 78.4 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.001 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -39.01 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.83 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.484 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -33.1 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.633 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.5 -32.26 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.75 -30.83 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.406 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.49 -21.14 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.765 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 121.428 0.633 . . . . 0.0 110.375 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -48.61 -34.31 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.587 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.6 -59.59 4.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.341 0.591 . . . . 0.0 111.033 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.5 m -58.27 -36.22 72.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.721 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -53.68 -48.6 59.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.808 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.19 -28.8 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -20.96 60.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.583 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -17.44 0.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.22 -20.1 0.57 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.356 0.122 . . . . 0.0 110.978 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.41 -18.42 4.16 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 111.312 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.48 20.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -50.64 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.556 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.35 -54.6 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.285 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -64.22 -38.56 91.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.15 -41.08 96.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.21 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -34.57 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.645 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.037 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -39.05 89.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.331 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.73 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.526 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -33.2 44.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.44 -32.29 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.554 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.87 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.25 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 121.382 0.611 . . . . 0.0 110.36 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -48.69 -34.23 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.506 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.18 -58.4 6.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.167 0.508 . . . . 0.0 111.214 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -59.0 -36.15 74.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.616 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -53.71 -48.71 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.73 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.09 -28.85 70.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -20.92 60.29 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -17.78 0.41 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -48.9 -20.44 0.5 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.057 0.143 . . . . 0.0 110.959 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -18.98 4.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.769 0.319 . . . . 0.0 111.289 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -28.93 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -50.69 48.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -54.55 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.299 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.25 -38.56 91.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.491 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.79 -40.2 94.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -34.44 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.721 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.77 -48.16 78.49 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.003 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -39.0 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.72 -24.73 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.492 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -33.26 44.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.63 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.4 -32.28 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.7 -30.89 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.39 -21.22 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 121.425 0.631 . . . . 0.0 110.341 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.651 0.262 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.9 t -52.94 -64.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.06 0.457 . . . . 0.0 110.549 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -64.9 -33.78 76.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.47 -47.81 78.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.45 -47.46 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.31 -27.36 67.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.477 0.486 . . . . 0.0 110.469 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.22 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.92 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.0 -22.8 2.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.6 0.238 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.74 -22.77 3.81 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.524 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.74 -28.06 5.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.671 0.272 . . . . 0.0 110.748 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.22 -31.08 15.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -32.93 45.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 0.0 111.058 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -67.11 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.466 0.65 . . . . 0.0 110.611 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.27 -30.09 65.86 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.779 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.68 98.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.088 0.47 . . . . 0.0 109.844 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.16 -37.88 81.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.853 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.92 -41.79 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.1 p -61.05 -40.59 94.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.67 -16.94 37.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.765 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.34 -22.49 21.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.467 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.5 tt -92.08 -33.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.824 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.16 -27.33 13.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.69 1.3 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.167 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.716 0.294 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.1 t -52.65 -65.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.484 . . . . 0.0 110.498 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -64.05 -33.89 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.45 -47.88 78.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.41 -47.43 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.32 -27.36 67.27 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 123.564 0.54 . . . . 0.0 110.435 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -19.1 5.11 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.12 -22.74 2.67 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.624 0.25 . . . . 0.0 110.629 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.76 -22.73 3.82 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.5 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.79 -27.72 5.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.696 0.284 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.75 -30.93 15.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.513 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -32.88 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.007 0.432 . . . . 0.0 111.012 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -67.1 -44.23 88.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.501 0.667 . . . . 0.0 110.617 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.31 -30.0 65.71 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.815 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -42.66 98.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.149 0.5 . . . . 0.0 109.871 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.25 -37.81 81.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.832 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.89 -41.94 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -60.89 -40.6 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.9 -16.16 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.758 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 -21.24 21.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.759 0.314 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 8.4 tt -93.41 -33.52 5.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.425 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.59 65.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.775 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.49 13.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.51 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.361 -179.075 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.739 0.304 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.59 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.537 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.09 -33.95 76.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.811 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.34 -47.9 77.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.53 -47.35 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.34 -27.35 67.3 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.498 0.498 . . . . 0.0 110.466 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.16 5.09 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.93 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.05 -22.74 2.55 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.582 0.23 . . . . 0.0 110.662 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.76 -22.71 3.81 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.568 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 -27.77 5.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -30.95 15.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -32.92 44.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 0.0 111.032 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 m -67.1 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.469 0.652 . . . . 0.0 110.623 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.28 -30.07 65.83 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.828 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.62 98.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.26 -37.82 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.866 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.94 -41.86 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.958 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -60.94 -40.58 93.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 110.89 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.97 -16.06 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.57 -21.23 20.95 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.723 0.297 . . . . 0.0 110.471 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 8.4 tt -93.37 -33.53 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.382 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.61 65.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.754 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.41 13.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.868 0.366 . . . . 0.0 110.702 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.65 1.68 40.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 120.669 0.271 . . . . 0.0 110.326 -179.15 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.718 0.295 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -52.98 -64.85 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.13 0.491 . . . . 0.0 110.535 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.49 -47.91 78.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.46 -47.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.39 -27.36 67.37 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.521 0.513 . . . . 0.0 110.383 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.38 -19.24 5.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.924 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.91 -22.88 2.45 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.642 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.71 -22.73 3.73 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.524 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.71 -28.11 5.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.653 0.263 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.23 -31.04 15.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.595 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -32.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 111.024 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.12 -44.07 88.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.47 0.652 . . . . 0.0 110.649 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.35 -30.11 65.79 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.773 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -42.68 98.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.139 0.495 . . . . 0.0 109.866 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.24 -37.88 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.794 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.92 -41.82 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 17.1 p -61.03 -40.66 94.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.993 0.425 . . . . 0.0 110.859 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.61 -16.88 37.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.43 -22.46 21.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.733 0.301 . . . . 0.0 110.5 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 8.5 tt -92.09 -33.87 5.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.496 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -18.71 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.05 -27.39 13.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.35 40.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 120.648 0.261 . . . . 0.0 110.345 -179.119 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.551 0.215 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.48 -61.95 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -66.43 -33.65 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.013 0.435 . . . . 0.0 110.687 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.58 -47.81 78.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.51 -47.47 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.759 -0.376 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.22 -27.42 67.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.526 0.516 . . . . 0.0 110.437 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.37 -19.28 5.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.93 -22.8 2.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.672 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.7 -22.75 3.72 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.541 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.7 -29.19 7.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -31.95 16.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -33.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 30.4 m -67.01 -44.22 88.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.444 0.64 . . . . 0.0 110.581 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.24 -30.15 65.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.813 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -42.65 98.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.868 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.28 -37.77 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.801 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.12 -41.62 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.974 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 17.3 p -61.09 -40.88 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.942 0.401 . . . . 0.0 110.813 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 mt -84.67 -19.28 33.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.88 -25.81 24.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.994 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 tt -88.18 -35.54 8.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.076 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -18.74 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -99.11 -27.23 13.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.94 -0.45 39.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 120.691 0.281 . . . . 0.0 110.513 -178.813 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 mm . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.525 0.202 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -55.13 -41.81 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.045 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -58.79 -59.62 5.14 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.408 0.623 . . . . 0.0 111.153 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.7 p -55.8 -36.77 67.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.504 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.7 t -62.25 -43.05 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -26.93 46.58 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.833 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 tp -52.56 -23.99 7.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.607 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.72 -12.27 6.76 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.94 -15.05 1.72 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.393 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.19 -29.22 30.68 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -19.75 29.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -28.87 23.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.47 0.652 . . . . 0.0 110.941 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 m -84.04 -34.82 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.116 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.79 -27.09 66.44 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.05 -32.89 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.686 0.755 . . . . 0.0 109.721 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.81 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.35 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.92 -47.23 52.39 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.242 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.68 -34.8 76.3 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.256 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.83 94.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.79 -16.17 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.22 -35.08 11.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 110.458 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.1 -27.78 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.487 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 16.92 9.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 CA--C 1.52 -0.206 0 O-C-N 123.345 0.403 . . . . 0.0 110.488 -179.102 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 33.1 mm . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.569 0.223 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -55.72 -41.8 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -58.69 -60.05 4.44 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 111.128 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.41 -36.83 66.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.15 -43.09 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -26.85 46.77 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.76 -23.65 7.22 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.591 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -11.64 6.62 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.629 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.49 -14.64 2.12 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.03 35.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -19.61 30.08 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.88 0.371 . . . . 0.0 110.419 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.69 -28.76 24.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.467 0.651 . . . . 0.0 110.961 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.11 -34.74 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.094 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.88 -27.16 66.43 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.84 -33.0 34.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.87 -46.42 85.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.723 0.773 . . . . 0.0 109.68 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.79 -34.63 71.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.399 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.82 -47.35 51.45 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.56 -34.79 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.395 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.74 94.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.222 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.67 -34.4 11.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -27.44 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 19.15 7.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.519 -0.216 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.378 -179.236 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 mm . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.5 0.19 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 36.0 m -55.79 -41.75 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.958 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -58.69 -60.19 4.21 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.389 0.614 . . . . 0.0 111.048 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.34 -36.81 66.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.534 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.26 -42.95 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -26.95 47.88 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.759 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.58 -23.91 7.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.565 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -11.73 6.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.703 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.45 -14.65 2.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.48 -29.11 34.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -19.67 30.02 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.958 0.408 . . . . 0.0 110.441 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.65 -28.73 23.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.424 0.63 . . . . 0.0 110.934 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 m -84.09 -34.9 10.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.113 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.8 -27.08 66.43 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.97 -32.89 34.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.89 -46.49 84.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.675 0.75 . . . . 0.0 109.73 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.78 -34.6 71.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.367 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.73 -47.45 50.65 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.294 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.51 -34.88 76.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.351 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.75 94.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.8 -34.31 12.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.428 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.99 -27.46 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.358 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 19.17 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.46 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 53.3 tp . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.749 0.309 . . . . 0.0 110.378 -179.26 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mm . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.637 0.256 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 36.0 m -55.26 -41.68 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -58.89 -59.66 5.1 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 111.084 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 82.4 p -55.81 -36.69 67.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.558 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.25 -43.01 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -26.86 48.34 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.814 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -52.67 -23.95 7.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -12.25 6.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.702 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.83 -15.22 1.78 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.392 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.09 -29.09 28.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -19.76 29.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -28.88 23.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.404 0.621 . . . . 0.0 110.888 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.0 -34.83 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.089 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -67.79 -27.07 66.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.04 -32.87 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.93 -46.39 84.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.625 0.726 . . . . 0.0 109.703 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.88 -34.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.349 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m -49.85 -47.36 51.75 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.274 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.357 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.93 94.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.76 -16.05 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.36 -34.98 11.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.038 0.447 . . . . 0.0 110.493 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.13 -27.76 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.553 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.32 16.74 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.52 -0.198 0 O-C-N 123.318 0.386 . . . . 0.0 110.548 -179.125 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 32.6 mm . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.725 0.298 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 35.5 m -53.6 -41.74 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.65 -57.93 10.79 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.35 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -56.93 -36.61 70.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.27 -43.11 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -27.09 47.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.751 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 tp -52.44 -24.25 7.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.12 -15.09 8.29 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.582 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp -51.93 -17.66 1.07 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.87 -29.32 19.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -20.19 29.47 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.973 0.416 . . . . 0.0 110.484 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -29.04 21.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 110.959 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -83.97 -34.83 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.103 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.8 -27.19 66.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -32.84 34.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -64.02 -46.34 84.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.599 0.714 . . . . 0.0 109.712 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.81 -34.65 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.321 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 11.6 m -49.76 -47.35 50.96 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.67 -34.78 76.26 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.301 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.92 94.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 pt -80.64 -18.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -37.7 8.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 110.353 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.02 -29.49 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.572 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.66 7.1 27.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.651 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 CA--C 1.52 -0.186 0 O-C-N 123.49 0.494 . . . . 0.0 111.127 -177.722 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.708 0.289 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.1 -28.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.01 -52.39 63.29 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.56 . . . . 0.0 110.722 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.76 -41.3 92.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.66 -22.4 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.011 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.02 -43.89 64.29 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.658 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -18.98 5.47 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.647 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.36 1.41 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.071 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.63 -22.77 0.83 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.944 -0.117 . . . . 0.0 110.967 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.08 71.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.692 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -33.79 65.91 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 110.164 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -31.89 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.91 -49.71 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.543 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.09 -44.07 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.083 0.468 . . . . 0.0 111.09 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.91 69.72 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.355 0.598 . . . . 0.0 111.109 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.09 -44.86 44.96 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.766 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -24.42 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.241 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.2 p -57.2 -45.92 83.35 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.8 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.74 -40.76 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.219 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.94 55.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.48 -30.38 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.667 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -25.65 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.295 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.2 p -92.33 -27.64 17.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.902 0.382 . . . . 0.0 110.311 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.7 5.23 29.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 110.668 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.435 HG21 HD12 ' B' ' 13' ' ' ILE . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.642 0.258 . . . . 0.0 110.56 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.92 -28.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.151 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -55.08 -52.35 63.5 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.226 0.536 . . . . 0.0 110.693 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.79 -41.27 92.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.625 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.64 -22.42 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.039 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.07 -43.89 64.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.639 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.66 -19.04 5.29 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -23.55 1.43 Allowed 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.019 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.45 -22.87 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.933 -0.121 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.05 71.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.647 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -33.84 65.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -31.89 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.98 -49.75 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.471 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.06 -44.07 66.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 0.0 111.127 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.82 69.58 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.398 0.618 . . . . 0.0 111.202 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.15 -44.92 44.13 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.761 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -24.3 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 119.506 -0.878 . . . . 0.0 110.272 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.3 p -57.33 -45.77 83.94 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.818 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.72 -40.77 89.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.55 55.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -30.37 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.617 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -25.61 4.64 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.277 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -92.47 -27.47 17.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.911 0.386 . . . . 0.0 110.179 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.04 6.15 26.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.848 0.356 . . . . 0.0 110.529 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.416 HD12 HG21 ' C' ' 13' ' ' ILE . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.653 0.263 . . . . 0.0 110.643 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.03 -28.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.124 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.02 -52.31 63.55 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.2 0.524 . . . . 0.0 110.734 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.83 -41.3 91.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.72 -22.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.051 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.13 -43.88 64.01 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.689 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -19.02 5.3 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.61 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -23.45 1.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.075 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.58 -22.82 0.82 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.002 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.21 -39.15 72.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.603 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -33.92 65.65 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.936 0.398 . . . . 0.0 110.182 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -31.92 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.86 -49.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.54 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.06 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 111.128 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.97 69.77 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.336 0.589 . . . . 0.0 111.122 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.09 -44.87 44.95 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.824 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -24.52 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.262 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.1 p -57.15 -45.92 83.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.856 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.7 -40.76 88.97 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.58 55.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -30.32 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.731 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -25.68 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.285 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 22.5 p -92.36 -27.48 17.51 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.09 6.16 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.783 0.325 . . . . 0.0 110.527 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.432 HD12 HG21 ' D' ' 13' ' ' ILE . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.75 0.31 . . . . 0.0 110.742 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -48.13 -28.9 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -55.11 -52.29 63.71 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.18 0.514 . . . . 0.0 110.692 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -65.79 -41.41 91.98 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.64 -22.41 23.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.974 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.94 -43.97 64.37 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.716 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -19.05 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.623 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -23.56 1.39 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.034 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.52 -22.88 0.81 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.879 -0.146 . . . . 0.0 110.964 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.13 71.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.669 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -33.83 65.78 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 110.205 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -31.95 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.85 -49.76 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.495 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.12 -43.97 66.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.039 0.447 . . . . 0.0 111.109 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -31.96 69.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.329 0.585 . . . . 0.0 111.099 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.08 -44.91 44.76 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.761 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.18 -24.45 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.251 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 20.1 p -57.23 -45.84 83.51 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.854 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.78 -40.68 89.08 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.21 -18.88 54.87 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -30.32 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -25.63 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.29 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -27.67 17.35 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.882 0.372 . . . . 0.0 110.194 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 5.21 29.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.988 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.717 0.294 . . . . 0.0 110.606 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.716 0.293 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.41 -28.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.054 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -55.04 -52.36 63.41 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.226 0.536 . . . . 0.0 110.738 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.77 -41.35 92.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.72 -22.4 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.948 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.98 -43.86 64.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.72 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.71 -19.05 5.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.676 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.38 1.41 Allowed 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.028 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.67 -22.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.877 -0.147 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.18 -39.2 72.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.88 65.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.143 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -31.94 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.96 -49.73 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.467 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.047 0.451 . . . . 0.0 111.055 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.93 69.68 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.393 0.616 . . . . 0.0 111.215 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.15 -44.83 44.68 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.797 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -24.35 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.215 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 20.2 p -57.22 -45.93 83.39 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.831 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.65 -40.81 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.27 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.61 -20.06 54.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.53 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.838 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.64 -25.67 4.5 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.366 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 22.6 p -92.42 -27.68 17.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.41 . . . . 0.0 110.295 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 1.63 39.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.078 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.338 0.092 0 CA-C-O 120.683 0.277 . . . . 0.0 110.875 -179.385 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.2 m -49.45 -27.97 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -62.68 -57.74 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.321 0.582 . . . . 0.0 110.652 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.76 -27.93 69.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.86 -42.32 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -24.5 62.38 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.415 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.42 -26.02 7.27 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.022 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -9.19 4.36 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -53.15 -26.57 17.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 111.631 -177.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.34 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.548 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.08 71.32 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.91 -18.89 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -178.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -56.48 5.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.304 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -43.44 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.504 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.39 98.24 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.289 0.566 . . . . 0.0 110.498 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.53 -48.1 78.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -31.56 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.473 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.11 79.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.18 -25.66 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.402 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.51 -23.05 27.89 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.749 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.64 -27.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.455 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.17 -31.34 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -98.77 -25.39 14.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.204 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.76 -30.53 71.51 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.626 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -49.5 -27.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.64 -57.88 9.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.344 0.592 . . . . 0.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -27.9 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.302 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 65.1 t -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -24.53 62.41 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.38 -26.11 7.27 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.401 ' HD1' ' N ' ' B' ' 21' ' ' LEU . 0.1 OUTLIER -61.29 -8.82 4.16 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.401 ' N ' ' HD1' ' B' ' 20' ' ' PHE . 21.3 tp -53.55 -26.22 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.547 0.213 . . . . 0.0 111.547 -177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -26.39 61.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.574 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -36.09 71.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.04 -18.6 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.63 -56.4 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.304 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -43.38 95.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.481 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.13 -41.46 98.27 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.329 0.585 . . . . 0.0 110.476 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.52 -48.01 79.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.976 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -31.5 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.482 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -42.14 79.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.737 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.31 -25.48 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.89 -22.02 27.7 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.62 -27.0 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.387 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -47.41 -31.17 3.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -98.94 -25.38 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.77 -30.5 71.5 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.657 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.588 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -49.54 -27.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.63 -57.85 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 0.0 110.628 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -63.65 -27.95 69.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.86 -42.29 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.95 -24.59 62.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.314 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.46 -25.98 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.092 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -8.82 4.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -53.49 -26.39 20.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.573 0.225 . . . . 0.0 111.557 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.32 60.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.546 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -36.14 71.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -18.59 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.886 0.374 . . . . 0.0 110.969 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.64 -56.43 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.299 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -43.49 94.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.565 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.08 -41.45 98.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.39 0.614 . . . . 0.0 110.537 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.58 -48.02 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -31.58 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.515 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -42.06 79.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.727 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.34 -25.46 59.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.353 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.95 -22.08 27.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.59 -27.05 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.37 -31.19 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -98.89 -25.37 14.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.173 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.78 -30.44 71.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.636 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.692 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.975 0.417 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 26.2 m -49.45 -27.98 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -62.72 -57.77 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.323 0.582 . . . . 0.0 110.627 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -63.78 -27.85 69.47 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 65.1 t -63.87 -42.26 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -24.57 62.39 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.348 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.36 -26.03 7.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.401 ' HD1' ' N ' ' D' ' 21' ' ' LEU . 0.1 OUTLIER -61.19 -9.13 4.33 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.401 ' N ' ' HD1' ' D' ' 20' ' ' PHE . 21.2 tp -53.14 -26.58 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.612 0.244 . . . . 0.0 111.61 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.29 -26.35 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.555 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -36.16 71.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.226 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -18.88 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -56.41 6.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.341 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -43.35 95.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.477 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.21 -41.44 98.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.286 0.565 . . . . 0.0 110.432 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.53 -48.1 78.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -31.62 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.49 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.1 79.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.695 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.17 -25.85 59.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.38 -23.07 28.13 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.799 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.5 -27.31 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.497 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.23 -31.23 3.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -98.83 -25.42 14.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.152 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.8 -30.5 71.52 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.624 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.638 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 26.3 m -49.46 -27.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -62.79 -57.52 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.569 . . . . 0.0 110.661 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -63.83 -27.92 69.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.8 -42.39 95.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.99 -24.59 62.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.354 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.33 -26.26 7.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.206 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -12.92 5.15 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.28 -26.57 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.5 -26.24 61.0 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.519 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -36.24 71.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.52 -19.68 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.82 0.343 . . . . 0.0 110.783 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.05 -56.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.372 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -43.4 95.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.527 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.4 98.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.301 0.572 . . . . 0.0 110.458 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.62 -47.91 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -31.47 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 119.874 -0.731 . . . . 0.0 109.386 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -42.06 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.756 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.21 -26.13 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.28 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.17 -26.06 29.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.19 -29.11 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.217 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -46.72 -31.36 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -98.85 -25.37 14.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.151 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.77 -30.55 71.54 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.606 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 120.739 0.304 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -55.56 -42.85 70.36 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.4 -57.87 10.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 111.424 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -58.62 -34.13 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.092 0.472 . . . . 0.0 109.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.64 -21.84 14.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -42.54 86.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.282 0.563 . . . . 0.0 110.612 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.59 -14.35 29.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.707 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -17.31 40.18 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.83 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.65 -8.13 49.58 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.771 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.24 -16.52 49.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.014 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -35.75 65.27 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.25 0.548 . . . . 0.0 110.547 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.59 -25.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.301 0.572 . . . . 0.0 111.133 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 t -62.01 -54.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.422 0.629 . . . . 0.0 110.613 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -29.84 70.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.88 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -32.3 69.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.164 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.69 -36.49 67.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.988 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.07 -50.49 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.59 -43.89 95.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mp -66.36 -27.83 68.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.799 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.58 27.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.64 -23.28 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.09 -43.18 30.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.838 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.76 -30.02 7.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.865 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.26 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.371 -179.774 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 120.716 0.293 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -55.57 -43.04 71.22 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.13 -58.43 8.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.17 0.509 . . . . 0.0 111.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.1 m -58.06 -34.27 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.071 0.462 . . . . 0.0 110.031 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.57 -21.89 14.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -42.35 85.93 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.549 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.79 -14.01 28.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.652 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -16.85 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.749 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.28 -6.82 42.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.727 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.4 -16.38 46.11 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.962 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -35.7 65.01 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.213 0.53 . . . . 0.0 110.567 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -72.48 -25.57 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.336 0.588 . . . . 0.0 111.176 -178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.01 -54.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.369 0.604 . . . . 0.0 110.569 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.93 70.83 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.865 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.86 -32.33 69.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.16 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.7 -36.52 67.85 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.936 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -57.05 -50.5 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.55 -43.98 95.49 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.301 0.572 . . . . 0.0 110.583 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mp -66.4 -27.82 68.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.53 -35.51 27.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.65 -23.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.949 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 tt -48.09 -42.74 29.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -113.44 -29.84 7.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.35 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.393 -179.792 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.735 0.302 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -55.55 -42.88 70.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.27 -58.36 8.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 111.39 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -58.18 -34.17 70.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.047 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.52 -21.97 14.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -42.44 85.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.599 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.77 -13.91 27.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.704 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -16.85 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.735 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.29 -6.84 42.88 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.715 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.44 -16.37 46.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.968 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -35.73 65.19 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.281 0.562 . . . . 0.0 110.571 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -72.52 -25.53 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.576 . . . . 0.0 111.171 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 t -62.03 -54.62 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.602 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -29.94 70.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -32.4 69.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.121 -0.631 . . . . 0.0 110.185 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.77 -36.4 67.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.11 -50.57 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.39 -43.92 96.17 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.69 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mp -66.42 -27.85 68.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.792 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.52 -35.52 27.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.73 -23.35 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.87 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.03 -42.75 29.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -113.49 -29.81 7.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.52 77.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.736 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 -179.761 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 tt . . . . . 0 CA--C 1.522 -0.114 0 CA-C-O 120.689 0.28 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -55.59 -42.9 70.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.37 -57.92 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.109 0.481 . . . . 0.0 111.374 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 67.4 m -58.6 -34.11 70.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.54 -21.98 14.11 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -42.63 86.52 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.612 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.57 -14.33 29.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.687 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -17.25 39.56 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.836 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.74 -8.07 49.5 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.709 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.2 -16.57 49.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.097 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -35.73 65.2 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.221 0.534 . . . . 0.0 110.585 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -72.47 -25.49 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.306 0.574 . . . . 0.0 111.169 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 6.2 t -62.05 -54.55 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.299 0.571 . . . . 0.0 110.632 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.91 70.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.25 69.4 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.154 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -72.71 -36.48 67.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.978 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.16 -50.37 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.978 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.53 -43.95 95.66 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.239 0.542 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.35 -27.88 68.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.45 -35.65 27.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.58 -23.28 32.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.01 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.07 -43.26 30.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -112.88 -30.01 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.831 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.28 76.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.796 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -179.738 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.7 0.286 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 t -55.54 -42.94 70.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.971 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.71 -57.19 13.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.146 0.498 . . . . 0.0 111.502 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -58.97 -34.17 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.51 -22.0 14.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -42.66 86.36 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.586 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -60.85 -15.8 34.31 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.638 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -18.37 32.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.592 0.234 . . . . 0.0 111.018 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -67.02 -14.32 62.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.549 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.65 -16.75 56.95 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.331 -178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -35.78 65.5 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.254 0.55 . . . . 0.0 110.639 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 p -72.53 -25.48 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.278 0.561 . . . . 0.0 111.131 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 t -62.01 -54.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.611 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -29.83 70.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.875 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -32.28 69.4 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.16 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.78 -36.35 67.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.01 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.27 -50.38 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.912 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.52 -43.91 95.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.625 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mp -66.45 -27.86 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.761 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.49 27.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.71 -23.26 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.989 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -47.91 -44.55 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.719 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 5.6 t -110.7 -30.85 7.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.237 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.3 76.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.405 -179.846 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.675 0.274 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.57 -36.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 0.0 110.933 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -55.2 38.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.137 0.494 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 t -59.67 -41.3 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.889 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.41 -41.13 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.295 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.8 tp -54.44 -34.25 61.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -23.19 6.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.648 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -13.69 47.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.635 0.255 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.43 -24.31 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.447 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.38 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.424 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -36.24 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.865 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.42 -39.31 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.94 -59.72 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -23.49 61.36 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.491 -0.883 . . . . 0.0 110.701 -177.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.74 -51.83 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 0.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.84 -26.2 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.264 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.3 t -71.49 -45.08 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.211 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -31.88 68.15 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.076 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -45.76 46.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.28 65.87 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.331 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -66.98 -43.14 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.178 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.02 -20.38 9.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.0 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.85 -3.57 58.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.372 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.695 0.283 . . . . 0.0 110.623 -179.535 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.769 0.319 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.55 -36.39 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.894 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -55.17 38.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 111.222 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.72 -41.33 90.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.876 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.41 -41.04 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.378 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 66.4 tp -54.53 -34.38 61.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -23.04 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.668 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -12.64 43.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.625 0.25 . . . . 0.0 111.449 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.37 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 111.246 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.17 -44.38 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.408 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -36.34 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.915 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.21 -39.47 84.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.279 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.9 -60.0 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.9 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -23.55 59.11 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.687 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.69 -51.86 63.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.056 0.455 . . . . 0.0 110.475 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.87 -26.23 23.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.24 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 t -71.38 -45.18 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.24 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -31.88 68.11 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.168 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.1 -45.87 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -28.41 66.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.366 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mt -66.91 -43.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.13 -19.96 8.9 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.685 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -110.08 -24.89 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.469 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.53 57.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.714 0.292 . . . . 0.0 110.618 -179.522 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.719 0.295 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.6 -36.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.862 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -55.21 38.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.272 0.558 . . . . 0.0 111.229 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -59.77 -41.31 90.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.83 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.4 -41.08 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 66.6 tp -54.62 -34.2 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -23.04 5.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.566 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -12.69 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.646 0.26 . . . . 0.0 111.494 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -24.32 62.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.241 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.11 -44.39 69.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -36.3 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.878 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -62.25 -39.42 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.275 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.88 -60.03 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.915 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -23.39 59.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.727 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.77 -51.89 62.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 0.0 110.421 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.87 -26.11 23.16 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.269 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 t -71.46 -45.2 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.233 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -31.89 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.123 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -45.68 46.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.054 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.34 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.33 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mt -66.97 -43.09 89.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.186 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.1 -19.95 8.72 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.724 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -110.1 -24.95 10.47 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.457 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.88 -3.63 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.288 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.28 . . . . 0.0 110.552 -179.542 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 10.9 mm . . . . . 0 CA--C 1.53 0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.39 -36.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.931 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -55.18 38.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.167 0.508 . . . . 0.0 111.179 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.73 -41.28 90.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.886 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 52.6 t -61.51 -41.01 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.311 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 66.4 tp -54.52 -34.28 61.46 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.58 -23.26 6.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.564 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -13.73 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 0.0 111.38 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -24.37 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.378 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.35 68.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -36.28 34.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.788 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.33 -39.45 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.216 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.82 -59.85 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -23.45 61.03 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.672 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.68 -51.9 63.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 110.474 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.9 -26.12 23.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 t -71.37 -45.24 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.282 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.98 68.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.176 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -45.77 47.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -28.34 65.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.94 -43.16 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.151 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.94 -20.44 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.618 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.04 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.522 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.44 58.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 0.0 110.605 -179.575 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.27 -36.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.897 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -55.12 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.207 0.527 . . . . 0.0 111.109 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -59.68 -41.35 90.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.9 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.47 -40.99 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 tp -54.56 -34.17 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -23.34 6.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.665 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -15.6 56.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.98 -24.59 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.523 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.426 -178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -36.37 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.874 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.26 -39.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.237 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.13 -59.3 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.041 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -23.44 62.43 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.684 -177.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.61 -51.95 63.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.054 0.454 . . . . 0.0 110.483 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.82 -26.16 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 t -71.5 -45.04 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.29 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.39 -31.92 68.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.166 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -45.85 46.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.42 -28.37 66.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.407 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.88 -43.17 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.207 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.82 -21.06 10.04 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.54 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -108.78 -25.33 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.697 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.76 -3.46 58.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 110.524 -179.584 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.6 t -59.71 -43.82 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.453 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.67 -49.46 76.41 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.289 0.566 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.74 -41.9 82.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.831 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.412 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 54.4 t -70.55 -33.27 52.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.85 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.71 -22.01 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.852 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -106.65 0.11 24.13 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.774 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -53.32 -22.72 7.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.591 179.744 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -17.42 4.19 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.972 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.08 -24.27 1.53 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.236 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -70.8 -33.13 70.4 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.099 0.476 . . . . 0.0 111.196 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -29.24 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.526 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.3 t -61.97 -47.64 92.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.424 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.49 -37.63 87.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.773 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.13 76.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.307 0.575 . . . . 0.0 110.486 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -44.16 92.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.107 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -28.57 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.233 0.54 . . . . 0.0 110.018 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -40.96 98.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.485 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.94 -25.27 59.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.76 -39.13 84.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.29 -37.25 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.35 -18.55 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.92 -1.87 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.964 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.272 -179.648 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.183 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.65 -43.93 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.476 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.73 -49.36 76.73 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.296 0.569 . . . . 0.0 110.916 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.62 -41.94 82.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.878 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.49 -32.96 51.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.869 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.4 -20.25 11.57 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.085 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 14.4 tp -109.05 1.64 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.595 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -22.37 12.53 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -17.28 4.51 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.951 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.13 1.69 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.263 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' B' ' 24' ' ' VAL . 2.6 p90 -70.85 -33.15 70.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.084 0.469 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.405 ' N ' ' CG ' ' B' ' 23' ' ' PHE . 0.4 OUTLIER -70.6 -29.12 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -178.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.05 -47.63 92.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.48 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.38 -37.71 87.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.914 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.59 -35.03 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.441 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.23 92.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.088 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -28.64 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -46.4 88.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.337 0.589 . . . . 0.0 110.053 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -41.0 98.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.81 -25.39 60.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.463 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.72 -39.17 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.33 -37.23 16.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.29 -18.66 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.777 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.97 -1.84 33.99 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.954 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.946 0.403 . . . . 0.0 110.285 -179.704 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.68 -43.85 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.501 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.69 -49.51 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -57.43 -42.1 81.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.416 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 54.6 t -70.65 -32.85 50.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.33 -20.49 11.71 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.084 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -108.9 1.59 20.89 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.502 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.416 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 0.6 OUTLIER -54.51 -22.35 12.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -17.19 4.45 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.849 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.29 -24.22 1.74 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.261 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' C' ' 24' ' ' VAL . 2.6 p90 -70.75 -33.17 70.53 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.091 0.472 . . . . 0.0 111.237 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' C' ' 23' ' ' PHE . 0.4 OUTLIER -70.57 -29.2 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.577 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -61.94 -47.65 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.451 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.46 -37.64 87.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.892 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.61 -35.05 76.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.266 0.555 . . . . 0.0 110.428 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -44.2 92.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.109 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -28.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.126 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.359 0.6 . . . . 0.0 110.051 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.91 97.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.85 -25.4 60.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.75 -39.17 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.38 -37.27 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.27 -18.58 19.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.803 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.9 -1.86 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.004 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.812 0.339 . . . . 0.0 110.315 -179.726 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.679 0.276 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.67 -43.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.49 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.71 -49.41 76.55 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.288 0.566 . . . . 0.0 110.918 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.67 -41.96 82.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . 0.402 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 54.4 t -70.54 -33.28 52.77 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.832 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -21.91 12.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.427 -0.509 . . . . 0.0 109.85 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 14.1 tp -106.67 0.08 24.06 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.792 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.402 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 0.6 OUTLIER -53.35 -22.8 7.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.487 179.769 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -17.47 4.06 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.95 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.98 -24.39 1.49 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.399 -0.521 . . . . 0.0 111.254 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . 0.404 ' CG ' ' N ' ' D' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.15 70.53 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.213 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' D' ' 23' ' ' PHE . 0.4 OUTLIER -70.48 -29.18 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.561 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.95 -47.72 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.427 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.45 -37.75 87.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.02 76.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.19 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.081 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -28.49 45.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.207 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -46.49 87.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.225 0.536 . . . . 0.0 110.018 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -41.03 98.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.9 -25.24 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.498 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.35 -37.25 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.36 -18.49 19.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.783 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.97 -1.88 34.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.365 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.128 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.67 -43.8 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.75 -49.31 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.16 0.505 . . . . 0.0 110.931 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.8 -41.97 83.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.788 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 53.9 t -70.36 -33.79 55.48 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.971 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -26.8 22.7 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -96.33 -8.88 31.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 0.5 OUTLIER -49.56 -23.27 1.56 Allowed 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.151 -0.343 . . . . 0.0 111.083 -176.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -19.08 4.02 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.911 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.21 -24.47 1.17 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.324 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' E' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.27 70.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.114 0.483 . . . . 0.0 111.201 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' E' ' 23' ' ' PHE . 0.4 OUTLIER -70.43 -29.21 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.587 -178.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.06 -47.67 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.332 -178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.39 -37.75 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.881 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.52 -35.1 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.288 0.566 . . . . 0.0 110.415 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -44.11 92.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.123 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.139 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.91 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.085 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 -25.3 59.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.421 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.76 -39.15 84.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.045 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.43 -37.17 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.37 -18.53 19.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.742 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.0 -1.83 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.983 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.286 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p 47.12 26.83 0.7 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.967 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.35 -41.37 78.51 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.71 -14.29 45.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.568 0.223 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.4 -27.86 61.69 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.773 0.32 . . . . 0.0 110.77 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.58 -20.27 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -49.6 -39.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.397 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.38 -59.37 5.55 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.34 0.591 . . . . 0.0 111.399 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -59.83 -36.08 76.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.497 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.77 -46.64 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.211 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.24 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.66 -23.99 13.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.913 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -17.87 4.51 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.6 6.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.78 39.48 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.96 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -31.86 64.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.058 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -30.29 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.453 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.44 -58.27 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.25 -25.38 61.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.239 0.542 . . . . 0.0 109.824 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tt -70.61 -39.35 73.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.202 0.525 . . . . 0.0 110.205 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.31 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.73 -28.9 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.308 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.93 75.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.22 -40.14 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.981 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.8 mm -84.46 -24.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.01 -29.46 12.52 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.222 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.78 -21.29 13.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.478 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.23 -3.99 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.02 -78.07 0.04 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.536 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.452 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p 47.26 26.66 0.73 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.27 -41.05 80.54 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.14 -14.17 44.93 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.44 -27.94 61.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.736 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.59 -20.17 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 m -49.68 -39.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.337 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.11 -59.94 4.67 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.371 0.605 . . . . 0.0 111.33 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -59.48 -35.99 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.549 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.84 -46.62 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.182 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -56.02 -31.16 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.67 -23.98 13.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.917 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.14 -17.69 4.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.988 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -19.48 6.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.76 40.95 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.893 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.87 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.06 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.76 -30.33 49.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.42 -58.31 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.27 -25.3 61.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.237 0.541 . . . . 0.0 109.783 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.66 -39.45 73.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.203 0.525 . . . . 0.0 110.174 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.03 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.63 -28.96 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.386 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.89 75.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.28 -40.11 71.12 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.69 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 33.9 mm -84.56 -24.41 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.03 -29.49 12.77 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.194 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.25 13.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.481 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.21 -4.04 58.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.63 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.04 -78.03 0.04 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.475 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p 47.16 26.74 0.7 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.27 -41.05 80.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.12 -14.19 44.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.639 0.257 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.42 -27.96 61.72 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.78 0.324 . . . . 0.0 110.703 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.56 -20.22 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -49.62 -39.23 14.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.326 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.16 -59.88 4.75 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.37 0.605 . . . . 0.0 111.37 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.9 m -59.45 -36.09 75.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -58.79 -46.62 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.27 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.61 -24.1 12.97 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -17.78 4.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.979 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -19.39 6.22 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.519 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.25 -51.71 42.22 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.81 64.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 110.036 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -30.32 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.497 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.44 -58.29 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.23 -25.3 61.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.255 0.55 . . . . 0.0 109.854 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.63 -39.41 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.198 0.523 . . . . 0.0 110.269 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -47.43 86.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.071 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.71 -28.89 39.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.339 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.98 76.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.17 -40.12 71.47 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.975 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.64 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 33.8 mm -84.6 -24.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -29.43 13.39 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.26 13.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.18 -4.04 58.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.637 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.05 -78.09 0.04 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.905 0.383 . . . . 0.0 110.525 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.47 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p 47.19 26.77 0.72 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.32 -41.4 78.63 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -14.28 45.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.34 -27.94 61.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.808 0.337 . . . . 0.0 110.815 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.61 -20.18 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -49.65 -39.18 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.327 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.3 -59.45 5.44 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 111.411 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -59.77 -36.09 75.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.507 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.73 -46.68 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.214 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.93 -31.31 62.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.55 -24.06 12.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.934 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -17.85 4.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.01 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -19.56 6.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.533 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.11 -51.7 40.87 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -31.89 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.061 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.73 -30.29 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.49 -58.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.33 -25.37 61.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.267 0.556 . . . . 0.0 109.797 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.62 -39.38 73.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.166 0.508 . . . . 0.0 110.239 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.31 -47.5 85.75 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.7 -28.86 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.341 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -44.98 76.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.24 -40.1 71.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.966 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.79 76.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 34.0 mm -84.47 -24.42 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.45 12.8 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.237 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -104.77 -21.34 13.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.452 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.19 -3.98 58.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.637 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.04 -78.14 0.04 OUTLIER 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.476 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p 47.22 26.67 0.72 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.09 -42.37 77.1 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.03 -15.02 49.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.657 0.265 . . . . 0.0 111.209 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.23 -27.85 61.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.754 0.312 . . . . 0.0 110.855 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.66 -20.19 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -49.65 -39.16 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.287 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -59.81 -58.3 9.15 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.303 0.573 . . . . 0.0 111.554 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -60.43 -36.08 77.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.83 -46.68 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.167 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.92 -31.24 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.69 -24.01 13.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.882 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -17.93 4.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.043 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.41 -19.91 6.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.501 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.76 38.41 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.917 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.86 64.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.076 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -30.3 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.39 -58.43 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.11 -25.41 61.33 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.6 -39.39 73.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.225 0.536 . . . . 0.0 110.226 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.37 -47.49 85.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.947 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.63 -28.93 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.406 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.35 -44.78 76.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.33 -40.09 70.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.939 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.05 77.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 34.1 mm -84.05 -24.61 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -29.44 12.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.243 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.74 -21.37 13.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.19 -4.0 58.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.602 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 67.98 -78.06 0.04 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.464 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.89 -63.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.447 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.43 -21.63 70.67 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.43 -16.5 56.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.563 0.221 . . . . 0.0 110.683 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.0 mt -79.63 -48.55 13.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.75 0.309 . . . . 0.0 110.831 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -56.22 -20.07 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.71 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.12 -34.31 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.301 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -58.82 -49.14 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.299 0.571 . . . . 0.0 110.685 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.12 -30.47 71.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.194 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.431 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 98.2 t -68.35 -56.34 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.337 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.82 -19.67 2.67 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.655 0.597 . . . . 0.0 111.461 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -24.18 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 16.7 p90 -62.45 -8.22 5.81 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.135 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -15.67 4.22 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.184 -0.322 . . . . 0.0 111.234 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.11 -25.32 25.85 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -42.36 99.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.407 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -62.54 -27.03 42.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.7 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.45 -50.44 51.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.319 0.581 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -33.87 74.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.077 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.45 -44.56 95.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.364 0.602 . . . . 0.0 110.0 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -59.43 -36.39 75.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.711 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.4 -37.69 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.81 -29.77 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.56 . . . . 0.0 110.259 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.52 -45.82 13.14 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.85 90.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.35 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 tt -73.5 -33.03 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.593 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.65 -26.48 3.72 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.83 -30.8 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.458 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.99 86.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.076 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.42 1.49 3.65 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.169 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 117.807 -1.092 . . . . 0.0 110.243 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.92 -63.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.405 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.29 -21.75 70.49 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.37 -16.51 56.13 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.688 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.59 -48.57 13.57 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.836 0.351 . . . . 0.0 110.822 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt -56.21 -20.03 8.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.743 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 t -56.09 -34.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -58.94 -49.05 79.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.319 0.58 . . . . 0.0 110.608 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -62.14 -30.5 71.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.157 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.434 ' O ' ' HD2' ' B' ' 20' ' ' PHE . 97.8 t -68.39 -56.37 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.234 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.77 -19.67 2.63 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.565 0.54 . . . . 0.0 111.472 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -23.86 0.33 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.434 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 17.0 p90 -63.13 -7.14 5.09 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.845 -0.161 . . . . 0.0 111.157 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -15.19 5.33 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 122.232 -0.292 . . . . 0.0 111.064 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.47 -25.02 25.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.39 98.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 m -62.58 -27.08 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.602 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.39 -50.52 50.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.263 0.554 . . . . 0.0 110.704 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.91 74.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.132 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.52 -44.48 96.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.318 0.58 . . . . 0.0 109.947 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -59.38 -36.45 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.42 -37.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.64 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.66 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 110.315 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -45.84 13.06 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.82 90.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 110.371 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 tt -73.6 -33.06 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.501 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.66 -26.55 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.73 -30.78 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.521 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.97 86.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp 70.48 1.44 3.64 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.121 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.787 -1.102 . . . . 0.0 110.265 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.86 -63.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.416 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -21.73 70.61 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.34 -16.52 56.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.574 0.226 . . . . 0.0 110.706 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 mt -79.72 -48.49 13.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.8 0.334 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt -56.17 -20.1 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.662 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.16 -34.24 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.297 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -58.88 -48.91 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 110.659 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.25 -30.53 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.195 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.439 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 98.2 t -68.4 -56.35 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.292 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.77 -19.62 2.6 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.532 0.52 . . . . 0.0 111.468 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.89 -23.89 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.439 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 16.7 p90 -63.1 -7.12 4.95 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.163 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.25 -15.13 5.28 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 122.246 -0.284 . . . . 0.0 111.099 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.52 -25.04 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -42.42 98.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.328 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -62.5 -27.08 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.738 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -69.43 -50.52 50.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.734 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.8 74.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.137 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.59 -44.39 96.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.039 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.71 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.49 -37.61 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -29.76 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.263 0.554 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.44 -45.91 13.12 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.396 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 tt -73.6 -33.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.606 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.69 -26.42 3.73 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.82 -30.79 11.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.017 0.436 . . . . 0.0 110.52 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.96 85.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.111 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.44 1.44 3.63 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.146 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.236 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 7.2 m -157.96 -63.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.42 -21.59 70.61 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.44 -16.47 56.07 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.725 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 mt -79.63 -48.57 13.53 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.731 0.3 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt -56.21 -20.05 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.12 -34.31 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -58.83 -49.08 79.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 110.699 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.14 -30.55 71.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.188 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . 0.436 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 97.6 t -68.37 -56.36 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.254 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.76 -19.62 2.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.573 0.546 . . . . 0.0 111.507 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -24.06 0.36 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.088 0.243 . . . . 0.0 111.637 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.436 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 16.9 p90 -62.55 -8.18 5.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.141 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.29 -15.7 4.36 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.187 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.02 -25.36 26.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -42.42 99.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.57 -27.05 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.675 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.51 -50.31 51.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.696 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -33.73 74.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.099 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.38 96.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.325 0.583 . . . . 0.0 109.976 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -59.45 -36.38 75.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.694 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.42 -37.67 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.606 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.72 70.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.219 0.533 . . . . 0.0 110.238 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.5 -45.89 13.07 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.78 90.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.369 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 tt -73.56 -33.18 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.543 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -26.51 3.56 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -30.81 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.93 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.46 1.46 3.64 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.113 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.829 -1.082 . . . . 0.0 110.186 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.89 -63.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.452 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -21.7 70.6 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.44 -16.43 56.15 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.633 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.7 -48.53 13.52 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.785 0.326 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -56.12 -20.09 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -56.1 -34.33 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.251 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -58.92 -49.08 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.213 0.53 . . . . 0.0 110.597 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.04 -30.6 71.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . 0.431 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 98.2 t -68.35 -56.27 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -19.37 2.5 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.61 0.569 . . . . 0.0 111.515 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.27 -24.32 0.46 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.587 0.232 . . . . 0.0 111.586 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.431 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 15.5 p90 -59.99 -12.59 8.34 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.088 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.62 -17.91 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.152 -0.342 . . . . 0.0 111.623 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.835 0.35 . . . . 0.0 110.096 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.61 99.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.383 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.56 -26.95 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.662 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -69.51 -50.47 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.205 0.526 . . . . 0.0 110.649 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -33.76 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.128 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.34 96.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.315 0.578 . . . . 0.0 110.059 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.5 -36.34 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.71 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.37 -37.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.584 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -29.61 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.255 0.55 . . . . 0.0 110.306 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -45.95 13.02 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.82 90.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.355 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 1.7 tt -73.6 -33.04 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.531 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.85 -30.89 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 0.0 110.428 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.0 86.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.092 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.43 1.51 3.65 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.122 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.869 -1.063 . . . . 0.0 110.244 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.494 1.769 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 76.3 -51.52 0.6 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.359 0.412 . . . . 0.0 110.924 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.49 -15.59 32.79 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.44 -31.15 3.89 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-O 120.807 0.336 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.5 -31.21 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.659 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.31 -20.36 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.58 -34.41 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.544 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.55 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.291 0.567 . . . . 0.0 111.039 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -58.29 -36.15 72.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.716 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -53.74 -48.59 60.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.78 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -20.94 60.47 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.601 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -17.45 0.39 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.22 -20.14 0.57 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 121.994 0.118 . . . . 0.0 110.98 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -18.4 4.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.725 0.297 . . . . 0.0 111.352 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.43 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.76 -50.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.56 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -54.5 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.326 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.26 -38.58 91.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.989 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.12 -41.13 96.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.73 -40.24 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -34.56 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.731 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.71 -48.15 78.35 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -38.93 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.77 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.504 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -33.1 43.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.611 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.45 -32.32 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.566 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.85 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.45 -21.15 66.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 73.83 0.83 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.436 0.636 . . . . 0.0 110.377 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.251 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 76.21 -51.44 0.6 Allowed 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.378 0.424 . . . . 0.0 110.94 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.71 -15.31 33.24 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.61 -31.04 4.11 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.804 0.335 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.68 -31.12 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.636 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.32 -20.43 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.46 -34.47 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.538 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.42 -59.62 4.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.239 0.543 . . . . 0.0 111.067 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.35 -36.25 73.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.639 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -53.76 -48.56 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.779 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.15 -28.82 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.665 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -21.06 60.59 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.595 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -17.53 0.4 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.14 -20.13 0.54 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 122.044 0.138 . . . . 0.0 110.962 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -18.21 3.99 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 111.394 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -28.35 19.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -50.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -54.56 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.282 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.19 -38.59 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.972 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.08 -41.12 96.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.527 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.14 94.73 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.47 -34.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.683 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.062 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -39.04 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.63 -24.81 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.507 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -33.12 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.633 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.49 -32.24 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.534 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.78 -30.84 10.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.366 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.48 -21.12 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.81 73.9 0.84 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.412 0.625 . . . . 0.0 110.368 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.21 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 76.19 -51.43 0.61 Allowed 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.334 0.396 . . . . 0.0 110.918 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.65 -15.33 32.89 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.66 -30.99 4.17 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-O 120.782 0.325 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -31.06 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.36 -20.41 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.41 -34.5 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.564 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.45 -59.74 4.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.279 0.562 . . . . 0.0 110.981 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.23 -36.23 72.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.646 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -53.71 -48.59 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.804 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.19 -28.8 69.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -21.05 60.65 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -17.55 0.4 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.11 -20.08 0.52 Allowed 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.508 -0.12 . . . . 0.0 110.991 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -18.16 3.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.669 0.271 . . . . 0.0 111.334 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -28.29 19.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.87 -50.65 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.521 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -54.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.366 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.22 -38.52 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.013 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.471 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.77 -40.25 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -34.46 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.7 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -48.15 78.4 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.001 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -39.01 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.83 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.484 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -33.1 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.633 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.5 -32.26 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.75 -30.83 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.406 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.49 -21.14 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.765 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 73.84 0.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.428 0.633 . . . . 0.0 110.375 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.23 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.495 1.795 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 76.25 -51.4 0.6 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.431 0.457 . . . . 0.0 110.954 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.66 -15.51 33.7 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.49 -31.1 3.93 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-O 120.827 0.346 . . . . 0.0 111.051 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.56 -31.17 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.642 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.33 -20.37 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -48.61 -34.31 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.587 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.6 -59.59 4.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.341 0.591 . . . . 0.0 111.033 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.5 m -58.27 -36.22 72.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.721 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -53.68 -48.6 59.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.808 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.19 -28.8 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -20.96 60.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.583 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -17.44 0.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.22 -20.1 0.57 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.356 0.122 . . . . 0.0 110.978 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.41 -18.42 4.16 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 111.312 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.48 20.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -50.64 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.556 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.35 -54.6 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.285 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -64.22 -38.56 91.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.15 -41.08 96.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.21 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -34.57 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.645 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.037 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -39.05 89.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.331 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.73 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.526 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -33.2 44.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.44 -32.29 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.554 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.87 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.25 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.81 73.86 0.84 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.382 0.611 . . . . 0.0 110.36 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.189 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 76.39 -51.49 0.6 Allowed 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.334 0.396 . . . . 0.0 110.977 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.87 -16.85 33.28 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.76 -31.57 3.07 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.757 0.313 . . . . 0.0 111.078 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.99 -31.47 20.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.18 -20.3 22.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -48.69 -34.23 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.506 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.18 -58.4 6.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.167 0.508 . . . . 0.0 111.214 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -59.0 -36.15 74.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.616 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -53.71 -48.71 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.73 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.09 -28.85 70.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -20.92 60.29 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -17.78 0.41 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -48.9 -20.44 0.5 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.057 0.143 . . . . 0.0 110.959 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -18.98 4.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.769 0.319 . . . . 0.0 111.289 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -28.93 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -50.69 48.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -54.55 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.299 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.25 -38.56 91.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.491 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.79 -40.2 94.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -34.44 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.721 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.77 -48.16 78.49 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.003 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -39.0 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.72 -24.73 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.492 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -33.26 44.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.63 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.4 -32.28 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.7 -30.89 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.39 -21.22 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.77 73.85 0.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.425 0.631 . . . . 0.0 110.341 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.243 179.867 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.12 134.72 22.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.65 -22.8 76.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.3 p -69.55 -12.71 61.87 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.175 -0.21 . . . . 0.0 110.803 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -24.64 27.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.813 0.339 . . . . 0.0 110.403 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp -68.11 -28.96 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.983 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.9 t -52.94 -64.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.06 0.457 . . . . 0.0 110.549 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -64.9 -33.78 76.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.47 -47.81 78.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.45 -47.46 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.31 -27.36 67.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.477 0.486 . . . . 0.0 110.469 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.22 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.92 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.0 -22.8 2.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.6 0.238 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.74 -22.77 3.81 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.524 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.74 -28.06 5.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.671 0.272 . . . . 0.0 110.748 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.22 -31.08 15.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -32.93 45.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 0.0 111.058 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -67.11 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.466 0.65 . . . . 0.0 110.611 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.27 -30.09 65.86 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.779 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.68 98.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.088 0.47 . . . . 0.0 109.844 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.16 -37.88 81.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.853 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.92 -41.79 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.1 p -61.05 -40.59 94.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.67 -16.94 37.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.765 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.34 -22.49 21.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.467 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.5 tt -92.08 -33.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.824 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.16 -27.33 13.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.69 1.3 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.87 -38.26 64.55 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.499 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.04 134.73 22.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.7 -22.75 76.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.3 p -69.7 -12.6 61.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.558 0.218 . . . . 0.0 110.781 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.22 -24.69 28.77 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.774 0.321 . . . . 0.0 110.386 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp -67.89 -29.16 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.891 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.1 t -52.65 -65.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.484 . . . . 0.0 110.498 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -64.05 -33.89 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.45 -47.88 78.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.41 -47.43 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.32 -27.36 67.27 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 123.564 0.54 . . . . 0.0 110.435 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -19.1 5.11 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.12 -22.74 2.67 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.624 0.25 . . . . 0.0 110.629 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.76 -22.73 3.82 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.5 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.79 -27.72 5.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.696 0.284 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.75 -30.93 15.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.513 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -32.88 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.007 0.432 . . . . 0.0 111.012 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -67.1 -44.23 88.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.501 0.667 . . . . 0.0 110.617 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.31 -30.0 65.71 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.815 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -42.66 98.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.149 0.5 . . . . 0.0 109.871 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.25 -37.81 81.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.832 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.89 -41.94 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -60.89 -40.6 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.9 -16.16 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.758 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 -21.24 21.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.759 0.314 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 8.4 tt -93.41 -33.52 5.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.425 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.59 65.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.775 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.49 13.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.51 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.04 -38.24 64.98 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.361 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.503 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.05 134.76 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.77 -22.7 76.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -69.68 -12.65 61.8 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.159 -0.217 . . . . 0.0 110.796 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.13 -24.71 27.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp -67.95 -29.15 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.009 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.59 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.537 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.09 -33.95 76.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.811 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.34 -47.9 77.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.53 -47.35 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.34 -27.35 67.3 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.498 0.498 . . . . 0.0 110.466 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.16 5.09 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.93 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.05 -22.74 2.55 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.582 0.23 . . . . 0.0 110.662 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.76 -22.71 3.81 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.568 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 -27.77 5.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -30.95 15.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -32.92 44.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 0.0 111.032 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 m -67.1 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.469 0.652 . . . . 0.0 110.623 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.28 -30.07 65.83 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.828 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.62 98.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.26 -37.82 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.866 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.94 -41.86 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.958 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -60.94 -40.58 93.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 110.89 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.97 -16.06 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.57 -21.23 20.95 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.723 0.297 . . . . 0.0 110.471 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 8.4 tt -93.37 -33.53 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.382 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.61 65.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.754 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.41 13.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.868 0.366 . . . . 0.0 110.702 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.65 1.68 40.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.31 -38.21 65.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.669 0.271 . . . . 0.0 110.326 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.548 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.08 134.7 22.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.71 -22.7 76.88 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 77.9 p -69.63 -12.7 61.85 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.731 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -24.69 27.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.748 0.309 . . . . 0.0 110.4 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp -68.02 -28.97 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.969 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -52.98 -64.85 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.13 0.491 . . . . 0.0 110.535 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.49 -47.91 78.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.46 -47.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.39 -27.36 67.37 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.521 0.513 . . . . 0.0 110.383 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.38 -19.24 5.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.924 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.91 -22.88 2.45 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.642 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.71 -22.73 3.73 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.524 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.71 -28.11 5.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.653 0.263 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.23 -31.04 15.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.595 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -32.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 111.024 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.12 -44.07 88.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.47 0.652 . . . . 0.0 110.649 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.35 -30.11 65.79 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.773 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -42.68 98.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.139 0.495 . . . . 0.0 109.866 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.24 -37.88 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.794 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.92 -41.82 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 17.1 p -61.03 -40.66 94.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.993 0.425 . . . . 0.0 110.859 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.61 -16.88 37.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.43 -22.46 21.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.733 0.301 . . . . 0.0 110.5 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 8.5 tt -92.09 -33.87 5.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.496 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -18.71 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.05 -27.39 13.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.35 40.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.0 -38.17 64.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.648 0.261 . . . . 0.0 110.345 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.469 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.17 134.67 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.68 -22.77 76.86 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 79.8 p -69.54 -12.75 61.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.545 0.212 . . . . 0.0 110.818 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -24.62 27.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.416 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp -68.16 -28.74 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.48 -61.95 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -66.43 -33.65 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.013 0.435 . . . . 0.0 110.687 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.58 -47.81 78.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.51 -47.47 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.759 -0.376 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.22 -27.42 67.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.526 0.516 . . . . 0.0 110.437 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.37 -19.28 5.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.93 -22.8 2.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.672 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.7 -22.75 3.72 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.541 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.7 -29.19 7.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -31.95 16.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -33.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 30.4 m -67.01 -44.22 88.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.444 0.64 . . . . 0.0 110.581 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.24 -30.15 65.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.813 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -42.65 98.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.868 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.28 -37.77 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.801 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.12 -41.62 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.974 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 17.3 p -61.09 -40.88 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.942 0.401 . . . . 0.0 110.813 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 mt -84.67 -19.28 33.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.88 -25.81 24.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.994 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 tt -88.18 -35.54 8.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.076 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -18.74 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -99.11 -27.23 13.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.94 -0.45 39.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt -52.87 -38.43 61.57 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 120.691 0.281 . . . . 0.0 110.513 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.518 179.838 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 51.5 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -17.77 65.16 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -57.48 -32.22 66.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.559 0.218 . . . . 0.0 110.717 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -89.95 -17.96 26.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 mm -79.35 -13.42 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.858 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -55.13 -41.81 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.045 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -58.79 -59.62 5.14 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.408 0.623 . . . . 0.0 111.153 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.7 p -55.8 -36.77 67.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.504 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.7 t -62.25 -43.05 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -26.93 46.58 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.833 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 tp -52.56 -23.99 7.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.607 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.72 -12.27 6.76 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.94 -15.05 1.72 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.393 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.19 -29.22 30.68 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -19.75 29.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -28.87 23.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.47 0.652 . . . . 0.0 110.941 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 m -84.04 -34.82 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.116 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.79 -27.09 66.44 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.05 -32.89 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.686 0.755 . . . . 0.0 109.721 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.81 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.35 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.92 -47.23 52.39 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.242 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.68 -34.8 76.3 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.256 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.83 94.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.79 -16.17 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.22 -35.08 11.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 110.458 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.1 -27.78 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.487 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 16.92 9.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -45.46 -40.16 7.98 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.345 0.403 . . . . 0.0 110.488 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.465 179.708 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.57 51.63 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.0 -17.57 65.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 91.0 m -57.63 -31.84 66.67 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 120.577 0.227 . . . . 0.0 110.738 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -90.45 -17.71 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.65 -12.74 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.967 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -55.72 -41.8 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -58.69 -60.05 4.44 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 111.128 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.41 -36.83 66.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.15 -43.09 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -26.85 46.77 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.76 -23.65 7.22 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.591 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -11.64 6.62 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.629 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.49 -14.64 2.12 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.03 35.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -19.61 30.08 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.88 0.371 . . . . 0.0 110.419 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.69 -28.76 24.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.467 0.651 . . . . 0.0 110.961 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.11 -34.74 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.094 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.88 -27.16 66.43 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.84 -33.0 34.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.87 -46.42 85.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.723 0.773 . . . . 0.0 109.68 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.79 -34.63 71.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.399 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.82 -47.35 51.45 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.56 -34.79 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.395 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.74 94.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.222 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.67 -34.4 11.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -27.44 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 19.15 7.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 tp -47.53 -39.55 16.57 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.378 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.514 179.688 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.58 51.57 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.84 -17.74 65.53 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 91.6 m -57.5 -31.94 66.53 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-O 120.552 0.215 . . . . 0.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -90.34 -17.61 27.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 mm -79.88 -12.57 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.829 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 36.0 m -55.79 -41.75 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.958 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -58.69 -60.19 4.21 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.389 0.614 . . . . 0.0 111.048 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.34 -36.81 66.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.534 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.26 -42.95 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -26.95 47.88 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.759 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.58 -23.91 7.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.565 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -11.73 6.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.703 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.45 -14.65 2.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.48 -29.11 34.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -19.67 30.02 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.958 0.408 . . . . 0.0 110.441 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.65 -28.73 23.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.424 0.63 . . . . 0.0 110.934 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 m -84.09 -34.9 10.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.113 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.8 -27.08 66.43 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.97 -32.89 34.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.89 -46.49 84.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.675 0.75 . . . . 0.0 109.73 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.78 -34.6 71.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.367 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.73 -47.45 50.65 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.294 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.51 -34.88 76.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.351 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.75 94.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.8 -34.31 12.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.428 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.99 -27.46 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.358 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 19.17 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.46 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 53.3 tp -47.42 -39.59 15.87 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 120.749 0.309 . . . . 0.0 110.378 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.506 179.715 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 51.55 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.67 -17.79 65.2 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 91.1 m -57.49 -32.21 66.77 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.532 0.206 . . . . 0.0 110.71 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.86 -17.88 27.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mm -79.45 -13.27 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.951 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 36.0 m -55.26 -41.68 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -58.89 -59.66 5.1 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 111.084 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 82.4 p -55.81 -36.69 67.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.558 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.25 -43.01 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -26.86 48.34 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.814 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -52.67 -23.95 7.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -12.25 6.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.702 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.83 -15.22 1.78 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.392 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.09 -29.09 28.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -19.76 29.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -28.88 23.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.404 0.621 . . . . 0.0 110.888 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.0 -34.83 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.089 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -67.79 -27.07 66.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.04 -32.87 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.93 -46.39 84.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.625 0.726 . . . . 0.0 109.703 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.88 -34.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.349 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m -49.85 -47.36 51.75 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.274 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.357 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.93 94.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.76 -16.05 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.36 -34.98 11.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.038 0.447 . . . . 0.0 110.493 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.13 -27.76 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.553 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.32 16.74 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp -45.36 -40.08 7.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 O-C-N 123.318 0.386 . . . . 0.0 110.548 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.442 179.677 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.55 51.53 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.648 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.55 -17.96 65.16 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 91.6 m -57.14 -33.48 67.44 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-O 120.531 0.205 . . . . 0.0 110.609 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.03 -18.88 28.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.401 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 32.6 mm -77.83 -16.03 14.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 35.5 m -53.6 -41.74 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.65 -57.93 10.79 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.35 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -56.93 -36.61 70.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.27 -43.11 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -27.09 47.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.751 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 tp -52.44 -24.25 7.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.12 -15.09 8.29 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.582 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp -51.93 -17.66 1.07 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.87 -29.32 19.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -20.19 29.47 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.973 0.416 . . . . 0.0 110.484 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -29.04 21.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 110.959 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -83.97 -34.83 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.103 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.8 -27.19 66.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -32.84 34.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -64.02 -46.34 84.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.599 0.714 . . . . 0.0 109.712 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.81 -34.65 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.321 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 11.6 m -49.76 -47.35 50.96 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.67 -34.78 76.26 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.301 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.92 94.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 pt -80.64 -18.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -37.7 8.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 110.353 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.02 -29.49 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.572 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.66 7.1 27.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.651 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp -39.19 -41.26 0.83 Allowed 'General case' 0 CA--C 1.52 -0.186 0 O-C-N 123.49 0.494 . . . . 0.0 111.127 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.444 179.515 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.56 -1.95 54.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.71 -18.46 77.36 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -49.0 -30.19 5.77 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.812 0.339 . . . . 0.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.85 -42.55 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.425 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -19.24 18.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.749 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.1 -28.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.01 -52.39 63.29 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.56 . . . . 0.0 110.722 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.76 -41.3 92.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.66 -22.4 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.011 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.02 -43.89 64.29 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.658 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -18.98 5.47 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.647 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.36 1.41 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.071 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.63 -22.77 0.83 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.944 -0.117 . . . . 0.0 110.967 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.08 71.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.692 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -33.79 65.91 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 110.164 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -31.89 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.91 -49.71 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.543 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.09 -44.07 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.083 0.468 . . . . 0.0 111.09 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.91 69.72 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.355 0.598 . . . . 0.0 111.109 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.09 -44.86 44.96 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.766 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -24.42 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.241 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.2 p -57.2 -45.92 83.35 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.8 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.74 -40.76 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.219 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.94 55.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.48 -30.38 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.667 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -25.65 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.295 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.2 p -92.33 -27.64 17.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.902 0.382 . . . . 0.0 110.311 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.7 5.23 29.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.07 -29.57 3.68 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 110.668 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.441 179.727 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -1.91 54.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.072 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.76 -18.43 77.41 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -49.03 -30.0 5.64 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.862 0.363 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -42.51 11.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.348 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.435 HG21 HD12 ' B' ' 13' ' ' ILE . 0.4 OUTLIER -60.48 -19.37 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.56 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.92 -28.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.151 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -55.08 -52.35 63.5 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.226 0.536 . . . . 0.0 110.693 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.79 -41.27 92.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.625 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.64 -22.42 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.039 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.07 -43.89 64.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.639 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.66 -19.04 5.29 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -23.55 1.43 Allowed 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.019 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.45 -22.87 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.933 -0.121 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.05 71.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.647 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -33.84 65.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -31.89 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.98 -49.75 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.471 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.06 -44.07 66.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 0.0 111.127 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.82 69.58 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.398 0.618 . . . . 0.0 111.202 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.15 -44.92 44.13 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.761 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -24.3 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 119.506 -0.878 . . . . 0.0 110.272 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.3 p -57.33 -45.77 83.94 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.818 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.72 -40.77 89.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.55 55.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -30.37 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.617 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -25.61 4.64 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.277 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -92.47 -27.47 17.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.911 0.386 . . . . 0.0 110.179 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.04 6.15 26.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.84 -29.49 4.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.848 0.356 . . . . 0.0 110.529 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.484 179.722 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.59 -1.97 55.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.049 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.73 -18.48 77.39 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -48.89 -30.07 5.44 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.814 0.34 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -42.47 11.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.346 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.416 HD12 HG21 ' C' ' 13' ' ' ILE . 0.4 OUTLIER -60.43 -19.27 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.643 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.03 -28.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.124 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.02 -52.31 63.55 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.2 0.524 . . . . 0.0 110.734 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.83 -41.3 91.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.72 -22.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.051 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.13 -43.88 64.01 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.689 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -19.02 5.3 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.61 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -23.45 1.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.075 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.58 -22.82 0.82 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.002 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.21 -39.15 72.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.603 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -33.92 65.65 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.936 0.398 . . . . 0.0 110.182 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -31.92 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.86 -49.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.54 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.06 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 111.128 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.97 69.77 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.336 0.589 . . . . 0.0 111.122 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.09 -44.87 44.95 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.824 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -24.52 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.262 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.1 p -57.15 -45.92 83.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.856 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.7 -40.76 88.97 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.58 55.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -30.32 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.731 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -25.68 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.285 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 22.5 p -92.36 -27.48 17.51 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.09 6.16 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.9 -29.46 4.75 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.783 0.325 . . . . 0.0 110.527 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.5 179.737 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.58 -1.93 54.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.054 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.83 -18.43 77.49 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -48.98 -30.12 5.64 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.559 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.87 -42.68 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.318 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.432 HD12 HG21 ' D' ' 13' ' ' ILE . 0.4 OUTLIER -60.35 -19.23 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.742 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -48.13 -28.9 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -55.11 -52.29 63.71 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.18 0.514 . . . . 0.0 110.692 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -65.79 -41.41 91.98 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.64 -22.41 23.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.974 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.94 -43.97 64.37 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.716 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -19.05 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.623 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -23.56 1.39 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.034 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.52 -22.88 0.81 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.879 -0.146 . . . . 0.0 110.964 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.13 71.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.669 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -33.83 65.78 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 110.205 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -31.95 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.85 -49.76 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.495 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.12 -43.97 66.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.039 0.447 . . . . 0.0 111.109 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -31.96 69.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.329 0.585 . . . . 0.0 111.099 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.08 -44.91 44.76 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.761 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.18 -24.45 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.251 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 20.1 p -57.23 -45.84 83.51 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.854 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.78 -40.68 89.08 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.21 -18.88 54.87 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -30.32 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -25.63 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.29 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -27.67 17.35 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.882 0.372 . . . . 0.0 110.194 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 5.21 29.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.988 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.04 -29.58 3.64 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 120.717 0.294 . . . . 0.0 110.606 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.435 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.65 -2.0 55.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.76 -18.49 77.45 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -48.86 -30.75 6.18 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-O 120.885 0.374 . . . . 0.0 110.554 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.89 -43.08 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.491 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -19.08 17.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.41 -28.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.054 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -55.04 -52.36 63.41 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.226 0.536 . . . . 0.0 110.738 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.77 -41.35 92.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.72 -22.4 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.948 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.98 -43.86 64.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.72 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.71 -19.05 5.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.676 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.38 1.41 Allowed 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.028 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.67 -22.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.877 -0.147 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.18 -39.2 72.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.88 65.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.143 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.18 -31.94 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.96 -49.73 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.467 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.047 0.451 . . . . 0.0 111.055 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.93 69.68 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.393 0.616 . . . . 0.0 111.215 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.15 -44.83 44.68 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.797 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -24.35 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.215 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 20.2 p -57.22 -45.93 83.39 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.831 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.65 -40.81 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.27 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.61 -20.06 54.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.53 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.838 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.64 -25.67 4.5 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.366 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 22.6 p -92.42 -27.68 17.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.41 . . . . 0.0 110.295 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 1.63 39.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.078 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -46.03 -29.76 1.59 Allowed 'General case' 0 C--N 1.338 0.092 0 CA-C-O 120.683 0.277 . . . . 0.0 110.875 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.385 179.659 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.4 m -75.07 -40.86 59.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.61 -21.31 54.47 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 m -55.73 -19.18 10.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.031 -0.267 . . . . 0.0 110.798 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.38 -28.37 18.72 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.784 0.326 . . . . 0.0 110.664 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.2 -24.81 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.2 m -49.45 -27.97 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -62.68 -57.74 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.321 0.582 . . . . 0.0 110.652 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.76 -27.93 69.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.86 -42.32 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -24.5 62.38 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.415 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.42 -26.02 7.27 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.022 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -9.19 4.36 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -53.15 -26.57 17.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 111.631 -177.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.34 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.548 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.08 71.32 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.91 -18.89 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -178.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -56.48 5.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.304 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -43.44 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.504 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.39 98.24 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.289 0.566 . . . . 0.0 110.498 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.53 -48.1 78.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -31.56 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.473 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.11 79.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.18 -25.66 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.402 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.51 -23.05 27.89 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.749 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.64 -27.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.455 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.17 -31.34 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -98.77 -25.39 14.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.204 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.76 -30.53 71.51 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.33 -163.99 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.626 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.117 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.1 m -75.07 -40.87 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.57 -21.33 54.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.8 m -55.93 -18.81 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.788 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.79 -28.2 18.39 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.818 0.342 . . . . 0.0 110.654 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.3 -24.76 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -49.5 -27.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.64 -57.88 9.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.344 0.592 . . . . 0.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -27.9 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.302 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 65.1 t -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -24.53 62.41 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.38 -26.11 7.27 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.401 ' HD1' ' N ' ' B' ' 21' ' ' LEU . 0.1 OUTLIER -61.29 -8.82 4.16 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.401 ' N ' ' HD1' ' B' ' 20' ' ' PHE . 21.3 tp -53.55 -26.22 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.547 0.213 . . . . 0.0 111.547 -177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -26.39 61.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.574 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -36.09 71.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.04 -18.6 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.63 -56.4 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.304 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -43.38 95.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.481 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.13 -41.46 98.27 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.329 0.585 . . . . 0.0 110.476 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.52 -48.01 79.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.976 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -31.5 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.482 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -42.14 79.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.737 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.31 -25.48 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.89 -22.02 27.7 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.62 -27.0 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.387 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -47.41 -31.17 3.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -98.94 -25.38 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.77 -30.5 71.5 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.657 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.28 -163.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.588 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.961 -1.018 . . . . 0.0 111.209 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 36.3 m -75.1 -40.88 59.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.62 -21.26 54.4 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 4.7 m -55.88 -18.8 9.74 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.81 -0.23 . . . . 0.0 110.825 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.83 -28.21 18.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.825 0.345 . . . . 0.0 110.671 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.32 -24.69 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -49.54 -27.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.63 -57.85 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 0.0 110.628 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -63.65 -27.95 69.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.86 -42.29 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.95 -24.59 62.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.314 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.46 -25.98 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.092 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -8.82 4.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -53.49 -26.39 20.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.573 0.225 . . . . 0.0 111.557 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.32 60.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.546 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -36.14 71.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -18.59 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.886 0.374 . . . . 0.0 110.969 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.64 -56.43 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.299 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -43.49 94.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.565 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.08 -41.45 98.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.39 0.614 . . . . 0.0 110.537 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.58 -48.02 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -31.58 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.515 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -42.06 79.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.727 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.34 -25.46 59.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.353 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.95 -22.08 27.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.59 -27.05 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.37 -31.19 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -98.89 -25.37 14.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.173 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.78 -30.44 71.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.636 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.16 -163.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.692 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.174 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 36.4 m -75.05 -40.96 59.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.57 -21.39 54.51 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 4.7 m -55.68 -19.18 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.83 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -90.39 -28.31 18.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.78 0.324 . . . . 0.0 110.719 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.22 -24.77 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 26.2 m -49.45 -27.98 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -62.72 -57.77 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.323 0.582 . . . . 0.0 110.627 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -63.78 -27.85 69.47 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 65.1 t -63.87 -42.26 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -24.57 62.39 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.348 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.36 -26.03 7.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.401 ' HD1' ' N ' ' D' ' 21' ' ' LEU . 0.1 OUTLIER -61.19 -9.13 4.33 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.401 ' N ' ' HD1' ' D' ' 20' ' ' PHE . 21.2 tp -53.14 -26.58 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.612 0.244 . . . . 0.0 111.61 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.29 -26.35 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.555 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -36.16 71.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.226 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -18.88 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -56.41 6.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.341 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -43.35 95.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.477 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.21 -41.44 98.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.286 0.565 . . . . 0.0 110.432 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.53 -48.1 78.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -31.62 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.49 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.1 79.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.695 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.17 -25.85 59.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.38 -23.07 28.13 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.799 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.5 -27.31 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.497 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.23 -31.23 3.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -98.83 -25.42 14.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.152 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.8 -30.5 71.52 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.624 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.25 -163.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.638 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.196 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 37.4 m -75.16 -40.85 59.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.752 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -21.31 54.73 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 4.8 m -55.57 -20.04 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.72 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mp -88.76 -29.21 19.96 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.979 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -70.94 -24.79 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.917 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 26.3 m -49.46 -27.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -62.79 -57.52 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.569 . . . . 0.0 110.661 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -63.83 -27.92 69.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.8 -42.39 95.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.99 -24.59 62.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.354 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.33 -26.26 7.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.206 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -12.92 5.15 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.28 -26.57 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.5 -26.24 61.0 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.519 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -36.24 71.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.52 -19.68 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.82 0.343 . . . . 0.0 110.783 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.05 -56.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.372 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -43.4 95.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.527 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.4 98.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.301 0.572 . . . . 0.0 110.458 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.62 -47.91 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -31.47 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 119.874 -0.731 . . . . 0.0 109.386 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -42.06 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.756 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.21 -26.13 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.28 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.17 -26.06 29.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.19 -29.11 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.217 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -46.72 -31.36 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 5.3 t -98.85 -25.37 14.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.151 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.77 -30.55 71.54 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.29 -163.91 0.22 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.606 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.123 -179.864 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 49.98 27.75 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.61 -41.52 99.59 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.1 -28.26 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.74 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.07 -49.02 79.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.13 -31.06 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.741 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -55.56 -42.85 70.36 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.4 -57.87 10.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 111.424 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -58.62 -34.13 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.092 0.472 . . . . 0.0 109.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.64 -21.84 14.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -42.54 86.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.282 0.563 . . . . 0.0 110.612 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.59 -14.35 29.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.707 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -17.31 40.18 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.83 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.65 -8.13 49.58 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.771 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.24 -16.52 49.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.014 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -35.75 65.27 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.25 0.548 . . . . 0.0 110.547 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.59 -25.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.301 0.572 . . . . 0.0 111.133 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 t -62.01 -54.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.422 0.629 . . . . 0.0 110.613 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -29.84 70.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.88 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -32.3 69.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.164 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.69 -36.49 67.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.988 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.07 -50.49 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.59 -43.89 95.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mp -66.36 -27.83 68.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.799 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.58 27.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.64 -23.28 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.09 -43.18 30.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.838 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.76 -30.02 7.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.865 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.26 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -49.2 -29.09 5.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.371 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.516 179.617 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 50.01 27.71 2.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.59 99.59 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.04 -28.17 35.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.783 0.325 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.1 -49.12 78.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.679 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.13 -30.98 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -55.57 -43.04 71.22 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.13 -58.43 8.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.17 0.509 . . . . 0.0 111.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.1 m -58.06 -34.27 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.071 0.462 . . . . 0.0 110.031 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.57 -21.89 14.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -42.35 85.93 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.549 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.79 -14.01 28.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.652 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -16.85 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.749 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.28 -6.82 42.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.727 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.4 -16.38 46.11 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.962 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -35.7 65.01 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.213 0.53 . . . . 0.0 110.567 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -72.48 -25.57 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.336 0.588 . . . . 0.0 111.176 -178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.01 -54.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.369 0.604 . . . . 0.0 110.569 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.93 70.83 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.865 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.86 -32.33 69.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.16 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.7 -36.52 67.85 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.936 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -57.05 -50.5 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.55 -43.98 95.49 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.301 0.572 . . . . 0.0 110.583 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mp -66.4 -27.82 68.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.53 -35.51 27.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.65 -23.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.949 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 tt -48.09 -42.74 29.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -113.44 -29.84 7.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.35 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -48.95 -29.29 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.393 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.465 179.672 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 50.01 27.76 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.505 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.59 -41.49 99.58 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.09 -28.21 35.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.802 0.334 . . . . 0.0 110.802 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.16 -49.05 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.71 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.13 -31.03 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -55.55 -42.88 70.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.27 -58.36 8.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 111.39 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -58.18 -34.17 70.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.047 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.52 -21.97 14.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -42.44 85.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.599 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.77 -13.91 27.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.704 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -16.85 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.735 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.29 -6.84 42.88 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.715 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.44 -16.37 46.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.968 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -35.73 65.19 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.281 0.562 . . . . 0.0 110.571 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -72.52 -25.53 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.576 . . . . 0.0 111.171 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 t -62.03 -54.62 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.602 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -29.94 70.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -32.4 69.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.121 -0.631 . . . . 0.0 110.185 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.77 -36.4 67.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.11 -50.57 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.39 -43.92 96.17 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.69 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mp -66.42 -27.85 68.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.792 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.52 -35.52 27.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.73 -23.35 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.87 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.03 -42.75 29.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -113.49 -29.81 7.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.52 77.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.736 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp -48.88 -29.24 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.471 179.627 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 49.95 27.76 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.554 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.45 -41.57 99.57 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 11.1 t -81.17 -28.23 35.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.0 -49.1 78.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 tt -71.15 -30.98 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -55.59 -42.9 70.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.37 -57.92 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.109 0.481 . . . . 0.0 111.374 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 67.4 m -58.6 -34.11 70.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.54 -21.98 14.11 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -42.63 86.52 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.612 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.57 -14.33 29.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.687 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -17.25 39.56 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.836 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -70.74 -8.07 49.5 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.709 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.2 -16.57 49.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.097 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -35.73 65.2 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.221 0.534 . . . . 0.0 110.585 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -72.47 -25.49 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.306 0.574 . . . . 0.0 111.169 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 6.2 t -62.05 -54.55 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.299 0.571 . . . . 0.0 110.632 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.91 70.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.25 69.4 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.154 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -72.71 -36.48 67.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.978 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.16 -50.37 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.978 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.53 -43.95 95.66 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.239 0.542 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.35 -27.88 68.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.45 -35.65 27.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.58 -23.28 32.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.01 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.07 -43.26 30.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -112.88 -30.01 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.831 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.28 76.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.796 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -49.12 -29.2 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.467 179.661 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 49.87 27.83 2.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.55 -41.53 99.58 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.13 -28.22 35.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.769 0.318 . . . . 0.0 110.778 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.1 -49.05 78.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.772 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.18 -30.94 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.755 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 t -55.54 -42.94 70.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.971 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.71 -57.19 13.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.146 0.498 . . . . 0.0 111.502 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -58.97 -34.17 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.51 -22.0 14.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -42.66 86.36 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.586 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -60.85 -15.8 34.31 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.638 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -18.37 32.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.592 0.234 . . . . 0.0 111.018 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -67.02 -14.32 62.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.549 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.65 -16.75 56.95 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.331 -178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -35.78 65.5 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.254 0.55 . . . . 0.0 110.639 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 p -72.53 -25.48 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.278 0.561 . . . . 0.0 111.131 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 t -62.01 -54.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.611 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -29.83 70.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.875 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -32.28 69.4 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.16 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.78 -36.35 67.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.01 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.27 -50.38 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.912 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.52 -43.91 95.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.625 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mp -66.45 -27.86 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.761 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.49 27.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.71 -23.26 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.989 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -47.91 -44.55 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.719 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 5.6 t -110.7 -30.85 7.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.237 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.3 76.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp -49.02 -29.31 4.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.405 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.222 -0.395 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.517 179.665 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -109.83 -25.6 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.51 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.85 -30.73 74.58 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -65.85 -11.75 49.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.19 -36.46 15.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.85 0.357 . . . . 0.0 110.393 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm -93.69 -16.45 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.57 -36.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 0.0 110.933 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -55.2 38.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.137 0.494 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 t -59.67 -41.3 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.889 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.41 -41.13 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.295 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.8 tp -54.44 -34.25 61.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -23.19 6.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.648 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -13.69 47.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.635 0.255 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.43 -24.31 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.447 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.38 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.424 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -36.24 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.865 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.42 -39.31 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.94 -59.72 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -23.49 61.36 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.491 -0.883 . . . . 0.0 110.701 -177.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.74 -51.83 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 0.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.84 -26.2 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.264 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.3 t -71.49 -45.08 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.211 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -31.88 68.15 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.076 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -45.76 46.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.28 65.87 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.331 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -66.98 -43.14 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.178 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.02 -20.38 9.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.0 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.85 -3.57 58.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.372 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.42 -83.79 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.695 0.283 . . . . 0.0 110.623 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.133 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -109.74 -25.59 10.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.91 -30.63 74.39 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 14.2 t -65.94 -11.38 46.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.618 0.247 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -35.86 15.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.892 0.377 . . . . 0.0 110.461 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm -94.4 -16.38 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.55 -36.39 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.894 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -55.17 38.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 111.222 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.72 -41.33 90.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.876 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.41 -41.04 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.378 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 66.4 tp -54.53 -34.38 61.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -23.04 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.668 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -12.64 43.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.625 0.25 . . . . 0.0 111.449 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.37 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 111.246 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.17 -44.38 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.408 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -36.34 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.915 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.21 -39.47 84.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.279 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.9 -60.0 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.9 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -23.55 59.11 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.687 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.69 -51.86 63.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.056 0.455 . . . . 0.0 110.475 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.87 -26.23 23.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.24 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 t -71.38 -45.18 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.24 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -31.88 68.11 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.168 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.1 -45.87 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -28.41 66.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.366 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mt -66.91 -43.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.13 -19.96 8.9 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.685 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -110.08 -24.89 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.469 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.53 57.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.38 -83.8 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.714 0.292 . . . . 0.0 110.618 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.182 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 67.1 p -109.79 -25.52 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.92 -30.64 74.38 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -65.95 -11.43 47.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.592 0.234 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.61 -35.76 15.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.94 0.4 . . . . 0.0 110.558 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm -94.47 -16.29 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.6 -36.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.862 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -55.21 38.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.272 0.558 . . . . 0.0 111.229 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -59.77 -41.31 90.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.83 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.4 -41.08 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 66.6 tp -54.62 -34.2 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -23.04 5.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.566 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -12.69 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.646 0.26 . . . . 0.0 111.494 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -24.32 62.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.241 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.11 -44.39 69.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -36.3 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.878 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -62.25 -39.42 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.275 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.88 -60.03 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.915 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -23.39 59.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.727 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.77 -51.89 62.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 0.0 110.421 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.87 -26.11 23.16 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.269 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 t -71.46 -45.2 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.233 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -31.89 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.123 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -45.68 46.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.054 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.34 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.33 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mt -66.97 -43.09 89.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.186 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.1 -19.95 8.72 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.724 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -110.1 -24.95 10.47 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.457 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.88 -3.63 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.288 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.48 -83.88 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.28 . . . . 0.0 110.552 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.186 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 66.8 p -109.82 -25.57 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.89 -30.73 74.51 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 14.0 t -65.82 -11.79 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.651 0.262 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.12 -36.4 15.74 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.928 0.394 . . . . 0.0 110.522 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 10.9 mm -93.71 -16.6 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.39 -36.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.931 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -55.18 38.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.167 0.508 . . . . 0.0 111.179 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.73 -41.28 90.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.886 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 52.6 t -61.51 -41.01 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.311 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 66.4 tp -54.52 -34.28 61.46 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.58 -23.26 6.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.564 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -13.73 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 0.0 111.38 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -24.37 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.378 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.35 68.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -36.28 34.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.788 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.33 -39.45 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.216 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.82 -59.85 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -23.45 61.03 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.672 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.68 -51.9 63.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 110.474 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.9 -26.12 23.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 t -71.37 -45.24 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.282 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.98 68.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.176 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -45.77 47.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -28.34 65.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.94 -43.16 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.151 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.94 -20.44 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.618 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.04 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.522 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.44 58.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.29 -83.86 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 0.0 110.605 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.869 -1.063 . . . . 0.0 110.166 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -109.76 -25.59 10.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.97 -30.55 74.21 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -65.77 -12.43 53.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.608 0.242 . . . . 0.0 110.877 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.84 -38.81 15.37 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.897 0.379 . . . . 0.0 110.343 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm -90.5 -17.66 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.666 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.27 -36.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.897 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -55.12 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.207 0.527 . . . . 0.0 111.109 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -59.68 -41.35 90.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.9 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.47 -40.99 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 tp -54.56 -34.17 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -23.34 6.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.665 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -15.6 56.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.98 -24.59 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.523 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.426 -178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -36.37 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.874 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.26 -39.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.237 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.13 -59.3 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.041 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -23.44 62.43 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.684 -177.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.61 -51.95 63.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.054 0.454 . . . . 0.0 110.483 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.82 -26.16 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 t -71.5 -45.04 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.29 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.39 -31.92 68.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.166 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -45.85 46.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.42 -28.37 66.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.407 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.88 -43.17 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.207 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.82 -21.06 10.04 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.54 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -108.78 -25.33 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.697 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.76 -3.46 58.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.34 -83.88 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 110.524 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.949 -1.025 . . . . 0.0 110.128 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.82 22.91 15.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.577 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.57 -42.83 99.33 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.6 p -77.53 -21.49 52.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -26.47 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.54 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -31.39 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.302 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.6 t -59.71 -43.82 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.453 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.67 -49.46 76.41 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.289 0.566 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.74 -41.9 82.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.831 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 54.4 t -70.55 -33.27 52.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.85 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.71 -22.01 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.852 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -106.65 0.11 24.13 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.774 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -53.32 -22.72 7.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.591 179.744 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -17.42 4.19 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.972 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.08 -24.27 1.53 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.236 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -70.8 -33.13 70.4 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.099 0.476 . . . . 0.0 111.196 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -29.24 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.526 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.3 t -61.97 -47.64 92.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.424 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.49 -37.63 87.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.773 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.13 76.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.307 0.575 . . . . 0.0 110.486 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -44.16 92.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.107 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -28.57 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.233 0.54 . . . . 0.0 110.018 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -40.96 98.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.485 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.94 -25.27 59.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.76 -39.13 84.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.29 -37.25 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.35 -18.55 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.92 -1.87 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.964 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.91 105.81 0.08 Allowed 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.272 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.633 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.9 23.03 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.65 -42.77 99.42 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 57.9 p -77.67 -21.41 52.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.71 0.29 . . . . 0.0 110.409 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -26.37 67.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.511 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -31.42 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.246 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.65 -43.93 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.476 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.73 -49.36 76.73 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.296 0.569 . . . . 0.0 110.916 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.62 -41.94 82.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.878 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.49 -32.96 51.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.869 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.4 -20.25 11.57 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.085 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 14.4 tp -109.05 1.64 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.595 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -22.37 12.53 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -17.28 4.51 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.951 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.13 1.69 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.263 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' B' ' 24' ' ' VAL . 2.6 p90 -70.85 -33.15 70.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.084 0.469 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.405 ' N ' ' CG ' ' B' ' 23' ' ' PHE . 0.4 OUTLIER -70.6 -29.12 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -178.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.05 -47.63 92.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.48 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.38 -37.71 87.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.914 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.59 -35.03 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.441 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.23 92.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.088 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -28.64 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -46.4 88.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.337 0.589 . . . . 0.0 110.053 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -41.0 98.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.81 -25.39 60.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.463 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.72 -39.17 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.33 -37.23 16.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.29 -18.66 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.777 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.97 -1.84 33.99 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.954 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.95 105.75 0.08 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.946 0.403 . . . . 0.0 110.285 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.144 -0.932 . . . . 0.0 110.639 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.79 22.93 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.51 -42.76 99.22 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 58.5 p -77.7 -21.47 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -26.38 67.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.507 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.54 -31.48 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.282 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.68 -43.85 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.501 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.69 -49.51 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -57.43 -42.1 81.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.416 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 54.6 t -70.65 -32.85 50.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.33 -20.49 11.71 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.084 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -108.9 1.59 20.89 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.502 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.416 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 0.6 OUTLIER -54.51 -22.35 12.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -17.19 4.45 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.849 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.29 -24.22 1.74 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.261 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' C' ' 24' ' ' VAL . 2.6 p90 -70.75 -33.17 70.53 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.091 0.472 . . . . 0.0 111.237 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' C' ' 23' ' ' PHE . 0.4 OUTLIER -70.57 -29.2 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.577 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -61.94 -47.65 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.451 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.46 -37.64 87.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.892 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.61 -35.05 76.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.266 0.555 . . . . 0.0 110.428 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -44.2 92.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.109 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -28.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.126 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.359 0.6 . . . . 0.0 110.051 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.91 97.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.85 -25.4 60.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.75 -39.17 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.38 -37.27 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.27 -18.58 19.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.803 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.9 -1.86 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.004 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.83 105.69 0.08 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.812 0.339 . . . . 0.0 110.315 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.623 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 81.9 p -108.91 22.9 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.51 -42.88 99.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 58.1 p -77.58 -21.46 52.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.303 . . . . 0.0 110.447 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -26.27 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.487 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -31.48 9.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.278 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.67 -43.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.49 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.71 -49.41 76.55 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.288 0.566 . . . . 0.0 110.918 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.67 -41.96 82.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . 0.402 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 54.4 t -70.54 -33.28 52.77 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.832 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -21.91 12.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.427 -0.509 . . . . 0.0 109.85 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 14.1 tp -106.67 0.08 24.06 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.792 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.402 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 0.6 OUTLIER -53.35 -22.8 7.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.487 179.769 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -17.47 4.06 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.95 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.98 -24.39 1.49 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.399 -0.521 . . . . 0.0 111.254 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . 0.404 ' CG ' ' N ' ' D' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.15 70.53 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.213 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' D' ' 23' ' ' PHE . 0.4 OUTLIER -70.48 -29.18 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.561 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.95 -47.72 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.427 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.45 -37.75 87.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.02 76.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.19 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.081 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -28.49 45.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.207 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -46.49 87.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.225 0.536 . . . . 0.0 110.018 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -41.03 98.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.9 -25.24 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.498 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.35 -37.25 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.36 -18.49 19.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.783 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.97 -1.88 34.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.84 105.67 0.08 Allowed 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.365 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.661 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.86 23.04 15.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.602 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.87 99.36 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 58.1 p -77.56 -21.47 52.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.309 . . . . 0.0 110.432 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -26.41 67.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.518 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.53 -31.52 9.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.265 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.67 -43.8 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.75 -49.31 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.16 0.505 . . . . 0.0 110.931 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.8 -41.97 83.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.788 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 53.9 t -70.36 -33.79 55.48 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.971 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -26.8 22.7 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -96.33 -8.88 31.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 0.5 OUTLIER -49.56 -23.27 1.56 Allowed 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.151 -0.343 . . . . 0.0 111.083 -176.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -19.08 4.02 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.911 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.21 -24.47 1.17 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.324 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' E' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.27 70.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.114 0.483 . . . . 0.0 111.201 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' E' ' 23' ' ' PHE . 0.4 OUTLIER -70.43 -29.21 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.587 -178.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.06 -47.67 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.332 -178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.39 -37.75 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.881 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.52 -35.1 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.288 0.566 . . . . 0.0 110.415 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -44.11 92.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.123 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.139 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.91 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.085 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 -25.3 59.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.421 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.76 -39.15 84.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.045 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.43 -37.17 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.37 -18.53 19.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.742 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.0 -1.83 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.983 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.84 105.75 0.08 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.286 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.705 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.188 0 CA-C-O 120.55 0.214 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 15' ' ' ASN . 35.8 m -49.6 -39.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.397 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . 4.4 m120 -59.38 -59.37 5.55 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.34 0.591 . . . . 0.0 111.399 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -59.83 -36.08 76.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.497 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.77 -46.64 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.211 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.24 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.66 -23.99 13.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.913 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -17.87 4.51 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.6 6.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.78 39.48 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.96 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -31.86 64.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.058 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.56 HG13 HG11 ' B' ' 25' ' ' VAL . 0.5 OUTLIER -64.75 -30.29 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.453 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG11 HG13 ' E' ' 24' ' ' VAL . 39.7 t -68.44 -58.27 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.25 -25.38 61.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.239 0.542 . . . . 0.0 109.824 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tt -70.61 -39.35 73.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.202 0.525 . . . . 0.0 110.205 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -60.31 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.002 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.401 HG13 HD12 ' E' ' 28' ' ' LEU . 34.0 m -69.73 -28.9 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.308 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.93 75.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.22 -40.14 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.981 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.587 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 33.8 mm -84.46 -24.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.01 -29.46 12.52 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.222 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.78 -21.29 13.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.478 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -88.23 -3.99 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.536 -179.387 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.215 0 CA-C-O 120.476 0.179 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.421 HG23 ' N ' ' B' ' 15' ' ' ASN . 35.9 m -49.68 -39.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.337 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ASN . . . . . 0.421 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.4 m120 -59.11 -59.94 4.67 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.371 0.605 . . . . 0.0 111.33 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -59.48 -35.99 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.549 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.84 -46.62 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.182 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -56.02 -31.16 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.67 -23.98 13.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.917 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.14 -17.69 4.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.988 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -19.48 6.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.76 40.95 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.893 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.87 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.06 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.538 HG13 HG11 ' C' ' 25' ' ' VAL . 0.5 OUTLIER -64.76 -30.33 49.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.56 HG11 HG13 ' A' ' 24' ' ' VAL . 39.5 t -68.42 -58.31 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.27 -25.3 61.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.237 0.541 . . . . 0.0 109.783 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.66 -39.45 73.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.203 0.525 . . . . 0.0 110.174 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -60.29 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 28' ' ' LEU . 34.0 m -69.63 -28.96 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.386 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.89 75.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.28 -40.11 71.12 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.69 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.571 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 33.9 mm -84.56 -24.41 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.03 -29.49 12.77 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.194 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.25 13.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.481 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -88.21 -4.04 58.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.63 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 -179.371 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.224 -0.251 0 CA-C-O 120.515 0.197 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.42 HG23 ' N ' ' C' ' 15' ' ' ASN . 35.8 m -49.62 -39.23 14.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.326 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' ASN . . . . . 0.42 ' N ' HG23 ' C' ' 14' ' ' VAL . 4.4 m120 -59.16 -59.88 4.75 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.37 0.605 . . . . 0.0 111.37 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.9 m -59.45 -36.09 75.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -58.79 -46.62 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.27 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.61 -24.1 12.97 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -17.78 4.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.979 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -19.39 6.22 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.519 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.25 -51.71 42.22 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.81 64.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 110.036 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.555 HG13 HG11 ' D' ' 25' ' ' VAL . 0.5 OUTLIER -64.74 -30.32 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.497 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.538 HG11 HG13 ' B' ' 24' ' ' VAL . 39.6 t -68.44 -58.29 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.23 -25.3 61.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.255 0.55 . . . . 0.0 109.854 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.63 -39.41 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.198 0.523 . . . . 0.0 110.269 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' B' ' 28' ' ' LEU . 0.6 OUTLIER -60.29 -47.43 86.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.071 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.4 HG13 HD12 ' B' ' 28' ' ' LEU . 34.0 m -69.71 -28.89 39.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.339 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.98 76.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.17 -40.12 71.47 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.975 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.64 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.596 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 33.8 mm -84.6 -24.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -29.43 13.39 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.26 13.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -88.18 -4.04 58.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.637 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.905 0.383 . . . . 0.0 110.525 -179.335 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.235 0 CA-C-O 120.527 0.203 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.41 HG23 ' N ' ' D' ' 15' ' ' ASN . 35.8 m -49.65 -39.18 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.327 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 15' ' ' ASN . . . . . 0.41 ' N ' HG23 ' D' ' 14' ' ' VAL . 4.4 m120 -59.3 -59.45 5.44 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 111.411 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -59.77 -36.09 75.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.507 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.73 -46.68 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.214 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.93 -31.31 62.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.55 -24.06 12.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.934 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -17.85 4.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.01 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -19.56 6.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.533 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.11 -51.7 40.87 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -31.89 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.061 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.549 HG13 HG11 ' E' ' 25' ' ' VAL . 0.5 OUTLIER -64.73 -30.29 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.555 HG11 HG13 ' C' ' 24' ' ' VAL . 39.6 t -68.49 -58.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.33 -25.37 61.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.267 0.556 . . . . 0.0 109.797 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.62 -39.38 73.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.166 0.508 . . . . 0.0 110.239 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' E' ' 28' ' ' LEU . 0.6 OUTLIER -60.31 -47.5 85.75 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.7 -28.86 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.341 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -44.98 76.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.24 -40.1 71.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.966 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.79 76.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 34.0 mm -84.47 -24.42 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.45 12.8 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.237 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -104.77 -21.34 13.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.452 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -88.19 -3.98 58.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.637 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 -179.377 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.214 0 CA-C-O 120.504 0.192 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 14' ' ' VAL . . . . . 0.424 HG23 ' N ' ' E' ' 15' ' ' ASN . 35.8 m -49.65 -39.16 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.287 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 15' ' ' ASN . . . . . 0.424 ' N ' HG23 ' E' ' 14' ' ' VAL . 4.3 m120 -59.81 -58.3 9.15 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.303 0.573 . . . . 0.0 111.554 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -60.43 -36.08 77.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.83 -46.68 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.167 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.92 -31.24 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.69 -24.01 13.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.882 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -17.93 4.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.043 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.41 -19.91 6.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.501 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.76 38.41 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.917 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.86 64.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.076 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.537 HG13 HG11 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -64.78 -30.3 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 25' ' ' VAL . . . . . 0.549 HG11 HG13 ' D' ' 24' ' ' VAL . 39.5 t -68.39 -58.43 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.11 -25.41 61.33 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.6 -39.39 73.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.225 0.536 . . . . 0.0 110.226 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' D' ' 28' ' ' LEU . 0.6 OUTLIER -60.37 -47.49 85.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.947 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.63 -28.93 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.406 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.35 -44.78 76.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.33 -40.09 70.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.939 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.05 77.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 34.1 mm -84.05 -24.61 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -29.44 12.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.243 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.74 -21.37 13.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 36' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -88.19 -4.0 58.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.602 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.325 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.913 0.387 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.12 -34.31 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.301 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.637 ' HA ' HD23 ' A' ' 18' ' ' LEU . 17.7 m-80 -58.82 -49.14 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.299 0.571 . . . . 0.0 110.685 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.12 -30.47 71.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.194 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 98.2 t -68.35 -56.34 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.337 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -52.82 -19.67 2.67 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.655 0.597 . . . . 0.0 111.461 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -24.18 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.449 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 16.7 p90 -62.45 -8.22 5.81 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.135 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' B' ' 22' ' ' ALA . 0.2 OUTLIER -56.24 -15.67 4.22 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.184 -0.322 . . . . 0.0 111.234 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.696 ' HB1' HG11 ' E' ' 24' ' ' VAL . . . -86.11 -25.32 25.85 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -42.36 99.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.407 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.688 HG11 ' HB1' ' B' ' 22' ' ' ALA . 17.0 m -62.54 -27.03 42.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.7 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.45 -50.44 51.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.319 0.581 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -33.87 74.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.077 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.45 -44.56 95.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.364 0.602 . . . . 0.0 110.0 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.6 HD22 HD11 ' E' ' 28' ' ' LEU . 3.2 tt -59.43 -36.39 75.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.711 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 t -64.4 -37.69 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.81 -29.77 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.56 . . . . 0.0 110.259 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.52 -45.82 13.14 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.85 90.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.35 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 29' ' ' VAL . 1.7 tt -73.5 -33.03 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.593 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.65 -26.48 3.72 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.83 -30.8 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.458 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.99 86.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.076 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.169 -178.501 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.952 0.406 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 t -56.09 -34.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ASN . . . . . 0.645 ' HA ' HD23 ' B' ' 18' ' ' LEU . 17.5 m-80 -58.94 -49.05 79.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.319 0.58 . . . . 0.0 110.608 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -62.14 -30.5 71.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.157 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' B' ' 20' ' ' PHE . 97.8 t -68.39 -56.37 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.234 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' B' ' 15' ' ' ASN . 0.6 OUTLIER -52.77 -19.67 2.63 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.565 0.54 . . . . 0.0 111.472 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -23.86 0.33 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.453 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 17.0 p90 -63.13 -7.14 5.09 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.845 -0.161 . . . . 0.0 111.157 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' C' ' 22' ' ' ALA . 0.2 OUTLIER -57.23 -15.19 5.33 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 122.232 -0.292 . . . . 0.0 111.064 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.688 ' HB1' HG11 ' A' ' 24' ' ' VAL . . . -86.47 -25.02 25.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.39 98.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' C' ' 22' ' ' ALA . 16.7 m -62.58 -27.08 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.602 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.39 -50.52 50.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.263 0.554 . . . . 0.0 110.704 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.91 74.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.132 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.52 -44.48 96.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.318 0.58 . . . . 0.0 109.947 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.601 HD11 HD22 ' C' ' 28' ' ' LEU . 3.2 tt -59.38 -36.45 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 33' ' ' ILE . 2.0 t -64.42 -37.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.64 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.66 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 110.315 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -45.84 13.06 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.82 90.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 110.371 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.488 HG22 ' O ' ' B' ' 29' ' ' VAL . 1.7 tt -73.6 -33.06 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.501 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.66 -26.55 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.73 -30.78 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.521 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.97 86.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 CA--C 1.533 0.294 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.121 -178.511 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.892 0.377 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.16 -34.24 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.297 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' ASN . . . . . 0.641 ' HA ' HD23 ' C' ' 18' ' ' LEU . 17.7 m-80 -58.88 -48.91 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 110.659 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.25 -30.53 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.195 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.457 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 98.2 t -68.4 -56.35 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.292 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.641 HD23 ' HA ' ' C' ' 15' ' ' ASN . 0.6 OUTLIER -52.77 -19.62 2.6 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.532 0.52 . . . . 0.0 111.468 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.89 -23.89 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.457 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 16.7 p90 -63.1 -7.12 4.95 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.163 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' D' ' 22' ' ' ALA . 0.2 OUTLIER -57.25 -15.13 5.28 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 122.246 -0.284 . . . . 0.0 111.099 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' B' ' 24' ' ' VAL . . . -86.52 -25.04 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -42.42 98.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.328 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.692 HG11 ' HB1' ' D' ' 22' ' ' ALA . 17.0 m -62.5 -27.08 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.738 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -69.43 -50.52 50.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.734 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.8 74.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.137 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.59 -44.39 96.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.039 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.615 HD11 HD22 ' D' ' 28' ' ' LEU . 3.2 tt -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.71 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.482 ' O ' HG22 ' C' ' 33' ' ' ILE . 2.0 t -64.49 -37.61 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -29.76 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.263 0.554 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.44 -45.91 13.12 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.396 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.482 HG22 ' O ' ' C' ' 29' ' ' VAL . 1.7 tt -73.6 -33.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.606 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.69 -26.42 3.73 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.82 -30.79 11.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.017 0.436 . . . . 0.0 110.52 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.96 85.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.111 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.531 0.248 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.146 -178.554 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.951 0.405 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.12 -34.31 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' ASN . . . . . 0.649 ' HA ' HD23 ' D' ' 18' ' ' LEU . 17.8 m-80 -58.83 -49.08 79.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 110.699 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.14 -30.55 71.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.188 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 97.6 t -68.37 -56.36 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.254 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' D' ' 15' ' ' ASN . 0.6 OUTLIER -52.76 -19.62 2.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.573 0.546 . . . . 0.0 111.507 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -24.06 0.36 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.088 0.243 . . . . 0.0 111.637 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.453 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 16.9 p90 -62.55 -8.18 5.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.141 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' E' ' 22' ' ' ALA . 0.2 OUTLIER -56.29 -15.7 4.36 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.187 -179.474 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 22' ' ' ALA . . . . . 0.692 ' HB1' HG11 ' C' ' 24' ' ' VAL . . . -86.02 -25.36 26.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -42.42 99.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.68 HG11 ' HB1' ' E' ' 22' ' ' ALA . 16.9 m -62.57 -27.05 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.675 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.51 -50.31 51.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.696 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -33.73 74.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.099 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.38 96.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.325 0.583 . . . . 0.0 109.976 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.615 HD22 HD11 ' C' ' 28' ' ' LEU . 3.2 tt -59.45 -36.38 75.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.694 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.476 ' O ' HG22 ' D' ' 33' ' ' ILE . 2.0 t -64.42 -37.67 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.606 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.72 70.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.219 0.533 . . . . 0.0 110.238 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.5 -45.89 13.07 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.78 90.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.369 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.476 HG22 ' O ' ' D' ' 29' ' ' VAL . 1.7 tt -73.56 -33.18 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.543 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -26.51 3.56 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -30.81 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.93 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.532 0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.113 -178.499 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.969 0.414 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -56.1 -34.33 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.251 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 15' ' ' ASN . . . . . 0.658 ' HA ' HD23 ' E' ' 18' ' ' LEU . 17.6 m-80 -58.92 -49.08 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.213 0.53 . . . . 0.0 110.597 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.04 -30.6 71.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.446 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 98.2 t -68.35 -56.27 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 18' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' E' ' 15' ' ' ASN . 0.6 OUTLIER -52.88 -19.37 2.5 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.61 0.569 . . . . 0.0 111.515 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.27 -24.32 0.46 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.587 0.232 . . . . 0.0 111.586 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.446 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 15.5 p90 -59.99 -12.59 8.34 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.088 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 21' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -52.62 -17.91 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.152 -0.342 . . . . 0.0 111.623 -179.28 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 22' ' ' ALA . . . . . 0.68 ' HB1' HG11 ' D' ' 24' ' ' VAL . . . -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.835 0.35 . . . . 0.0 110.096 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.61 99.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.383 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.696 HG11 ' HB1' ' A' ' 22' ' ' ALA . 16.9 m -62.56 -26.95 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.662 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -69.51 -50.47 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.205 0.526 . . . . 0.0 110.649 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -33.76 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.128 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.34 96.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.315 0.578 . . . . 0.0 110.059 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 28' ' ' LEU . 3.1 tt -59.5 -36.34 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.71 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 29' ' ' VAL . . . . . 0.49 ' O ' HG22 ' E' ' 33' ' ' ILE . 2.0 t -64.37 -37.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.584 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -29.61 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.255 0.55 . . . . 0.0 110.306 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -45.95 13.02 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.82 90.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.355 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.49 HG22 ' O ' ' E' ' 29' ' ' VAL . 1.7 tt -73.6 -33.04 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.531 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.85 -30.89 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 0.0 110.428 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.0 86.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.092 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.532 0.277 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.122 -178.525 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.629 HG22 HG23 ' A' ' 17' ' ' VAL . 5.5 mm . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.754 0.311 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.58 -34.41 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.544 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.291 0.567 . . . . 0.0 111.039 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -58.29 -36.15 72.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.716 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.629 HG23 HG22 ' A' ' 13' ' ' ILE . 2.7 t -53.74 -48.59 60.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.78 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -60.02 -20.94 60.47 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.601 179.597 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -17.45 0.39 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD12 HD22 ' B' ' 21' ' ' LEU . 5.8 tt -49.22 -20.14 0.57 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 121.994 0.118 . . . . 0.0 110.98 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -18.4 4.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.725 0.297 . . . . 0.0 111.352 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.43 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' B' ' 25' ' ' VAL . 0.9 OUTLIER -69.76 -50.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.56 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG11 ' CG2' ' E' ' 24' ' ' VAL . 0.1 OUTLIER -47.4 -54.5 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.326 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' E' ' 27' ' ' LEU . 10.5 m-85 -64.26 -38.58 91.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.989 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' B' ' 26' ' ' PHE . 13.7 tp -61.12 -41.13 96.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.73 -40.24 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -34.56 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.731 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -56.71 -48.15 78.35 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.361 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' N ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.32 -38.93 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.77 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.504 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.65 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -72.58 -33.1 43.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.611 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.45 -32.32 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.566 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.85 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -64.45 -21.15 66.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.436 0.636 . . . . 0.0 110.377 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.62 HG22 HG23 ' B' ' 17' ' ' VAL . 5.5 mm . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.756 0.313 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.46 -34.47 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.538 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.42 -59.62 4.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.239 0.543 . . . . 0.0 111.067 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.35 -36.25 73.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.639 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.62 HG23 HG22 ' B' ' 13' ' ' ILE . 2.7 t -53.76 -48.56 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.779 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.15 -28.82 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.665 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.484 ' O ' HD12 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -59.91 -21.06 60.59 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.595 179.518 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -17.53 0.4 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 21' ' ' LEU . 5.8 tt -49.14 -20.13 0.54 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 122.044 0.138 . . . . 0.0 110.962 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -18.21 3.99 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 111.394 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -28.35 19.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.437 ' CG2' HG11 ' C' ' 25' ' ' VAL . 0.9 OUTLIER -69.81 -50.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -47.42 -54.56 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.282 -179.465 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.456 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 10.5 m-85 -64.19 -38.59 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.972 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.445 HD21 ' CZ ' ' C' ' 26' ' ' PHE . 13.7 tp -61.08 -41.12 96.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.527 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.14 94.73 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.47 -34.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.683 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.422 HG22 ' N ' ' B' ' 31' ' ' LEU . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.062 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.422 ' N ' HG22 ' B' ' 30' ' ' THR . 0.1 OUTLIER -66.23 -39.04 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.32 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.63 -24.81 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.507 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.659 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 0.1 OUTLIER -72.52 -33.12 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.633 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.49 -32.24 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.534 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.78 -30.84 10.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.366 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -64.48 -21.12 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 121.412 0.625 . . . . 0.0 110.368 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.634 HG22 HG23 ' C' ' 17' ' ' VAL . 5.5 mm . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.746 0.308 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.41 -34.5 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.564 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.45 -59.74 4.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.279 0.562 . . . . 0.0 110.981 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.23 -36.23 72.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.646 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.634 HG23 HG22 ' C' ' 13' ' ' ILE . 2.7 t -53.71 -48.59 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.804 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.19 -28.8 69.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.487 HD12 ' O ' ' C' ' 19' ' ' LEU . 0.1 OUTLIER -59.94 -21.05 60.65 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.503 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -17.55 0.4 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.52 HD22 HD12 ' B' ' 21' ' ' LEU . 5.8 tt -49.11 -20.08 0.52 Allowed 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.508 -0.12 . . . . 0.0 110.991 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -18.16 3.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.669 0.271 . . . . 0.0 111.334 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -28.29 19.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.447 ' CG2' HG11 ' D' ' 25' ' ' VAL . 0.9 OUTLIER -69.87 -50.65 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.521 179.464 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.447 ' N ' HG12 ' C' ' 24' ' ' VAL . 0.1 OUTLIER -47.3 -54.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.366 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' B' ' 27' ' ' LEU . 10.5 m-85 -64.22 -38.52 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.013 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' D' ' 26' ' ' PHE . 13.7 tp -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.471 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.77 -40.25 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -34.46 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.7 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' THR . . . . . 0.416 HG22 ' N ' ' C' ' 31' ' ' LEU . 0.8 OUTLIER -56.73 -48.15 78.4 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.001 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 31' ' ' LEU . . . . . 0.416 ' N ' HG22 ' C' ' 30' ' ' THR . 0.1 OUTLIER -66.22 -39.01 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.83 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.484 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.649 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 0.1 OUTLIER -72.5 -33.1 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.633 -179.644 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.5 -32.26 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.75 -30.83 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.406 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -64.49 -21.14 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.765 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 121.428 0.633 . . . . 0.0 110.375 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.63 HG22 HG23 ' D' ' 17' ' ' VAL . 5.5 mm . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -48.61 -34.31 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.587 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -59.59 4.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.341 0.591 . . . . 0.0 111.033 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.5 m -58.27 -36.22 72.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.721 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' VAL . . . . . 0.63 HG23 HG22 ' D' ' 13' ' ' ILE . 2.7 t -53.68 -48.6 59.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.808 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.19 -28.8 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' LEU . . . . . 0.482 ' O ' HD12 ' D' ' 19' ' ' LEU . 0.1 OUTLIER -59.98 -20.96 60.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.583 179.543 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -17.44 0.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.515 HD22 HD12 ' C' ' 21' ' ' LEU . 5.8 tt -49.22 -20.1 0.57 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.356 0.122 . . . . 0.0 110.978 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.41 -18.42 4.16 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 111.312 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.48 20.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.44 HG12 ' N ' ' D' ' 25' ' ' VAL . 0.9 OUTLIER -69.8 -50.64 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.556 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' C' ' 24' ' ' VAL . 0.1 OUTLIER -47.35 -54.6 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.285 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' C' ' 27' ' ' LEU . 10.6 m-85 -64.22 -38.56 91.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.442 HD21 ' CZ ' ' E' ' 26' ' ' PHE . 13.8 tp -61.15 -41.08 96.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.21 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -34.57 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.645 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' THR . . . . . 0.415 HG22 ' N ' ' D' ' 31' ' ' LEU . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.037 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.415 ' N ' HG22 ' D' ' 30' ' ' THR . 0.1 OUTLIER -66.24 -39.05 89.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.331 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.73 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.526 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.649 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 0.1 OUTLIER -72.52 -33.2 44.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 -179.662 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.44 -32.29 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.554 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.87 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -64.38 -21.25 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 121.382 0.611 . . . . 0.0 110.36 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 13' ' ' ILE . . . . . 0.623 HG22 HG23 ' E' ' 17' ' ' VAL . 5.6 mm . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -48.69 -34.23 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.506 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -58.4 6.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.167 0.508 . . . . 0.0 111.214 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -59.0 -36.15 74.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.616 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.623 HG23 HG22 ' E' ' 13' ' ' ILE . 2.7 t -53.71 -48.71 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.73 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.09 -28.85 70.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 19' ' ' LEU . . . . . 0.491 ' O ' HD12 ' E' ' 19' ' ' LEU . 0.1 OUTLIER -59.98 -20.92 60.29 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 179.568 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -17.78 0.41 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 21' ' ' LEU . . . . . 0.514 HD22 HD12 ' D' ' 21' ' ' LEU . 5.8 tt -48.9 -20.44 0.5 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.057 0.143 . . . . 0.0 110.959 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -18.98 4.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.769 0.319 . . . . 0.0 111.289 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -28.93 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.443 ' CG2' HG11 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -69.61 -50.69 48.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 25' ' ' VAL . . . . . 0.437 HG11 ' CG2' ' D' ' 24' ' ' VAL . 0.1 OUTLIER -47.32 -54.55 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.299 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 26' ' ' PHE . . . . . 0.442 ' CZ ' HD21 ' D' ' 27' ' ' LEU . 10.5 m-85 -64.25 -38.56 91.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 27' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 13.7 tp -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.491 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.79 -40.2 94.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -34.44 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.721 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 30' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 31' ' ' LEU . 0.8 OUTLIER -56.77 -48.16 78.49 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.003 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 31' ' ' LEU . . . . . 0.423 ' N ' HG22 ' E' ' 30' ' ' THR . 0.1 OUTLIER -66.22 -39.0 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.72 -24.73 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.492 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.634 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 0.1 OUTLIER -72.48 -33.26 44.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.63 -179.69 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.4 -32.28 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.7 -30.89 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -64.39 -21.22 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 121.425 0.631 . . . . 0.0 110.341 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.651 0.262 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.9 t -52.94 -64.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.06 0.457 . . . . 0.0 110.549 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -64.9 -33.78 76.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.47 -47.81 78.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.45 -47.46 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.31 -27.36 67.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.477 0.486 . . . . 0.0 110.469 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.22 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.92 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.0 -22.8 2.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.6 0.238 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.74 -22.77 3.81 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.524 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.74 -28.06 5.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.671 0.272 . . . . 0.0 110.748 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.22 -31.08 15.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.42 ' CG2' HG21 ' B' ' 25' ' ' VAL . 0.5 OUTLIER -72.09 -32.93 45.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 0.0 111.058 -179.164 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 26' ' ' PHE . 29.9 m -67.11 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.466 0.65 . . . . 0.0 110.611 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 30' ' ' THR . 6.6 m-85 -71.27 -30.09 65.86 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.779 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.68 98.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.088 0.47 . . . . 0.0 109.844 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.16 -37.88 81.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.853 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 33' ' ' ILE . 55.1 t -61.92 -41.79 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 26' ' ' PHE . 17.1 p -61.05 -40.59 94.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.67 -16.94 37.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.765 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.34 -22.49 21.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.467 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 29' ' ' VAL . 8.5 tt -92.08 -33.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.824 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.16 -27.33 13.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.69 1.3 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.167 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.716 0.294 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.1 t -52.65 -65.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.484 . . . . 0.0 110.498 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -64.05 -33.89 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.45 -47.88 78.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.41 -47.43 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.32 -27.36 67.27 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 123.564 0.54 . . . . 0.0 110.435 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -19.1 5.11 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.12 -22.74 2.67 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.624 0.25 . . . . 0.0 110.629 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.76 -22.73 3.82 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.5 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.79 -27.72 5.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.696 0.284 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.75 -30.93 15.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.513 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' C' ' 25' ' ' VAL . 0.5 OUTLIER -72.13 -32.88 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.007 0.432 . . . . 0.0 111.012 -179.215 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 26' ' ' PHE . 29.5 m -67.1 -44.23 88.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.501 0.667 . . . . 0.0 110.617 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 30' ' ' THR . 6.6 m-85 -71.31 -30.0 65.71 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.815 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -42.66 98.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.149 0.5 . . . . 0.0 109.871 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.25 -37.81 81.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.832 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.415 ' O ' HG22 ' B' ' 33' ' ' ILE . 55.2 t -61.89 -41.94 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 26' ' ' PHE . 16.9 p -60.89 -40.6 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.9 -16.16 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.758 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 -21.24 21.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.759 0.314 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.421 HG21 HD13 ' B' ' 33' ' ' ILE . 8.4 tt -93.41 -33.52 5.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.425 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.59 65.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.775 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.49 13.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.51 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.361 -179.075 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.739 0.304 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.59 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.537 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.09 -33.95 76.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.811 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.34 -47.9 77.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.53 -47.35 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.34 -27.35 67.3 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.498 0.498 . . . . 0.0 110.466 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.16 5.09 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.93 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.05 -22.74 2.55 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.582 0.23 . . . . 0.0 110.662 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.76 -22.71 3.81 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.568 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 -27.77 5.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -30.95 15.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' D' ' 25' ' ' VAL . 0.5 OUTLIER -72.17 -32.92 44.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 0.0 111.032 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.471 HG23 ' N ' ' C' ' 26' ' ' PHE . 29.7 m -67.1 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.469 0.652 . . . . 0.0 110.623 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.584 ' O ' HG23 ' C' ' 30' ' ' THR . 6.7 m-85 -71.28 -30.07 65.83 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.828 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.62 98.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.26 -37.82 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.866 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.402 ' O ' HG22 ' C' ' 33' ' ' ILE . 55.3 t -61.94 -41.86 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.958 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' THR . . . . . 0.584 HG23 ' O ' ' C' ' 26' ' ' PHE . 16.9 p -60.94 -40.58 93.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 110.89 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.97 -16.06 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.57 -21.23 20.95 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.723 0.297 . . . . 0.0 110.471 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.402 HG22 ' O ' ' C' ' 29' ' ' VAL . 8.4 tt -93.37 -33.53 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.382 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.61 65.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.754 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.41 13.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.868 0.366 . . . . 0.0 110.702 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.65 1.68 40.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 120.669 0.271 . . . . 0.0 110.326 -179.15 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.718 0.295 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -52.98 -64.85 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.13 0.491 . . . . 0.0 110.535 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.49 -47.91 78.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.46 -47.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.39 -27.36 67.37 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.521 0.513 . . . . 0.0 110.383 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.38 -19.24 5.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.924 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.91 -22.88 2.45 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.642 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.71 -22.73 3.73 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.524 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.71 -28.11 5.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.653 0.263 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.23 -31.04 15.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.595 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.434 ' CG2' HG21 ' E' ' 25' ' ' VAL . 0.5 OUTLIER -72.22 -32.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 111.024 -179.097 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.479 HG23 ' N ' ' D' ' 26' ' ' PHE . 30.0 m -67.12 -44.07 88.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.47 0.652 . . . . 0.0 110.649 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.591 ' O ' HG23 ' D' ' 30' ' ' THR . 6.6 m-85 -71.35 -30.11 65.79 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.773 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -42.68 98.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.139 0.495 . . . . 0.0 109.866 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.24 -37.88 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.794 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.407 ' O ' HG22 ' D' ' 33' ' ' ILE . 55.1 t -61.92 -41.82 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 30' ' ' THR . . . . . 0.591 HG23 ' O ' ' D' ' 26' ' ' PHE . 17.1 p -61.03 -40.66 94.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.993 0.425 . . . . 0.0 110.859 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.61 -16.88 37.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.43 -22.46 21.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.733 0.301 . . . . 0.0 110.5 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.407 HG22 ' O ' ' D' ' 29' ' ' VAL . 8.5 tt -92.09 -33.87 5.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.496 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -18.71 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.05 -27.39 13.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.35 40.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 120.648 0.261 . . . . 0.0 110.345 -179.119 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.551 0.215 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.48 -61.95 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -66.43 -33.65 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.013 0.435 . . . . 0.0 110.687 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.58 -47.81 78.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.51 -47.47 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.759 -0.376 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.22 -27.42 67.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.526 0.516 . . . . 0.0 110.437 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.37 -19.28 5.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.93 -22.8 2.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.672 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.7 -22.75 3.72 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.541 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.7 -29.19 7.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -31.95 16.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.428 ' CG2' HG21 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -71.97 -33.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -178.705 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 25' ' ' VAL . . . . . 0.485 HG23 ' N ' ' E' ' 26' ' ' PHE . 30.4 m -67.01 -44.22 88.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.444 0.64 . . . . 0.0 110.581 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 26' ' ' PHE . . . . . 0.585 ' O ' HG23 ' E' ' 30' ' ' THR . 6.7 m-85 -71.24 -30.15 65.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.813 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -42.65 98.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.868 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.28 -37.77 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.801 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 29' ' ' VAL . . . . . 0.41 ' O ' HG22 ' E' ' 33' ' ' ILE . 55.3 t -62.12 -41.62 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.974 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 30' ' ' THR . . . . . 0.585 HG23 ' O ' ' E' ' 26' ' ' PHE . 17.3 p -61.09 -40.88 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.942 0.401 . . . . 0.0 110.813 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 mt -84.67 -19.28 33.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.88 -25.81 24.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.994 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.41 HG22 ' O ' ' E' ' 29' ' ' VAL . 8.6 tt -88.18 -35.54 8.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.076 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -18.74 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -99.11 -27.23 13.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.94 -0.45 39.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 120.691 0.281 . . . . 0.0 110.513 -178.813 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.538 HG22 HG23 ' A' ' 17' ' ' VAL . 33.3 mm . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.525 0.202 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' B' ' 15' ' ' ASN . 35.2 m -55.13 -41.81 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.045 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' N ' HG23 ' A' ' 14' ' ' VAL . 80.2 m-20 -58.79 -59.62 5.14 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.408 0.623 . . . . 0.0 111.153 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.7 p -55.8 -36.77 67.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.504 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.538 HG23 HG22 ' A' ' 13' ' ' ILE . 24.7 t -62.25 -43.05 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -26.93 46.58 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.833 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.496 HD11 ' CE2' ' E' ' 20' ' ' PHE . 10.5 tp -52.56 -23.99 7.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.607 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -59.72 -12.27 6.76 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.453 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.94 -15.05 1.72 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.393 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -53.19 -29.22 30.68 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CE1' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -85.98 -19.75 29.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.696 HG22 HG11 ' B' ' 25' ' ' VAL . 0.3 OUTLIER -55.47 -28.87 23.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.47 0.652 . . . . 0.0 110.941 -179.402 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.684 HG11 HG22 ' E' ' 24' ' ' VAL . 13.9 m -84.04 -34.82 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.116 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.79 -27.09 66.44 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -81.05 -32.89 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 HG12 ' B' ' 25' ' ' VAL . 3.0 tt -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.686 0.755 . . . . 0.0 109.721 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.81 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.35 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.92 -47.23 52.39 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.242 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.68 -34.8 76.3 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.256 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.83 94.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.79 -16.17 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.22 -35.08 11.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 110.458 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.1 -27.78 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.487 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 16.92 9.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 CA--C 1.52 -0.206 0 O-C-N 123.345 0.403 . . . . 0.0 110.488 -179.102 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.555 HG22 HG23 ' B' ' 17' ' ' VAL . 33.1 mm . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.569 0.223 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' C' ' 15' ' ' ASN . 33.9 m -55.72 -41.8 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ASN . . . . . 0.504 ' HB2' HG21 ' A' ' 14' ' ' VAL . 80.0 m-20 -58.69 -60.05 4.44 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 111.128 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.41 -36.83 66.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.555 HG23 HG22 ' B' ' 13' ' ' ILE . 24.8 t -62.15 -43.09 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -26.85 46.77 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 20' ' ' PHE . 10.4 tp -52.76 -23.65 7.22 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.591 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' C' ' 19' ' ' LEU . 0.7 OUTLIER -60.15 -11.64 6.62 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.629 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.49 -14.64 2.12 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.421 ' O ' HG22 ' B' ' 25' ' ' VAL . . . -53.58 -29.03 35.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.492 ' CE1' HD23 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -86.02 -19.61 30.08 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.88 0.371 . . . . 0.0 110.419 179.383 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.675 HG22 HG11 ' C' ' 25' ' ' VAL . 0.3 OUTLIER -55.69 -28.76 24.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.467 0.651 . . . . 0.0 110.961 -179.316 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.696 HG11 HG22 ' A' ' 24' ' ' VAL . 13.8 m -84.11 -34.74 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.094 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.88 -27.16 66.43 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.492 HD23 ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -80.84 -33.0 34.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.299 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.427 HD12 HG12 ' C' ' 25' ' ' VAL . 3.0 tt -63.87 -46.42 85.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.723 0.773 . . . . 0.0 109.68 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.79 -34.63 71.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.399 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.82 -47.35 51.45 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.56 -34.79 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.395 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.74 94.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.222 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.67 -34.4 11.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -27.44 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 19.15 7.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.519 -0.216 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.378 -179.236 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.545 HG22 HG23 ' C' ' 17' ' ' VAL . 33.4 mm . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.5 0.19 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.463 HG23 ' N ' ' C' ' 15' ' ' ASN . 36.0 m -55.79 -41.75 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' ASN . . . . . 0.478 ' HB2' HG21 ' B' ' 14' ' ' VAL . 80.0 m-20 -58.69 -60.19 4.21 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.389 0.614 . . . . 0.0 111.048 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.34 -36.81 66.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.534 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.545 HG23 HG22 ' C' ' 13' ' ' ILE . 24.9 t -62.26 -42.95 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.472 ' HG ' HD12 ' D' ' 19' ' ' LEU . 0.1 OUTLIER -55.72 -26.95 47.88 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.759 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.478 HD11 ' CE2' ' B' ' 20' ' ' PHE . 10.4 tp -52.58 -23.91 7.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.565 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.484 ' CE2' HD11 ' D' ' 19' ' ' LEU . 0.7 OUTLIER -59.99 -11.73 6.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.703 179.357 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.45 -14.65 2.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.421 ' O ' HG22 ' C' ' 25' ' ' VAL . . . -53.48 -29.11 34.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.48 ' CE1' HD23 ' C' ' 27' ' ' LEU . 0.0 OUTLIER -86.0 -19.67 30.02 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.958 0.408 . . . . 0.0 110.441 179.452 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.666 HG22 HG11 ' D' ' 25' ' ' VAL . 0.3 OUTLIER -55.65 -28.73 23.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.424 0.63 . . . . 0.0 110.934 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.675 HG11 HG22 ' B' ' 24' ' ' VAL . 13.7 m -84.09 -34.9 10.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.113 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.8 -27.08 66.43 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' C' ' 23' ' ' PHE . 0.2 OUTLIER -80.97 -32.89 34.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.354 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.463 HD12 HG12 ' D' ' 25' ' ' VAL . 3.0 tt -63.89 -46.49 84.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.675 0.75 . . . . 0.0 109.73 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.78 -34.6 71.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.367 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.73 -47.45 50.65 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.294 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.51 -34.88 76.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.351 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.75 94.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.8 -34.31 12.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.428 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.99 -27.46 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.358 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 19.17 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.46 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 53.3 tp . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.749 0.309 . . . . 0.0 110.378 -179.26 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.537 HG22 HG23 ' D' ' 17' ' ' VAL . 33.5 mm . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.637 0.256 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.469 HG23 ' N ' ' D' ' 15' ' ' ASN . 36.0 m -55.26 -41.68 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 15' ' ' ASN . . . . . 0.469 ' N ' HG23 ' D' ' 14' ' ' VAL . 80.1 m-20 -58.89 -59.66 5.1 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 111.084 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 82.4 p -55.81 -36.69 67.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.558 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' VAL . . . . . 0.537 HG23 HG22 ' D' ' 13' ' ' ILE . 24.9 t -62.25 -43.01 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -26.86 48.34 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.814 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 19' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' C' ' 20' ' ' PHE . 10.7 tp -52.67 -23.95 7.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.471 ' CE2' HD11 ' E' ' 19' ' ' LEU . 0.7 OUTLIER -59.7 -12.25 6.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.702 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.83 -15.22 1.78 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.392 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' ALA . . . . . 0.422 ' O ' HG22 ' D' ' 25' ' ' VAL . . . -53.09 -29.09 28.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.496 ' CE1' HD23 ' D' ' 27' ' ' LEU . 0.0 OUTLIER -86.08 -19.76 29.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.707 HG22 HG11 ' E' ' 25' ' ' VAL . 0.3 OUTLIER -55.46 -28.88 23.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.404 0.621 . . . . 0.0 110.888 -179.4 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.666 HG11 HG22 ' C' ' 24' ' ' VAL . 13.8 m -84.0 -34.83 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.089 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -67.79 -27.07 66.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' D' ' 23' ' ' PHE . 0.2 OUTLIER -81.04 -32.87 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.43 HD12 HG12 ' E' ' 25' ' ' VAL . 3.0 tt -63.93 -46.39 84.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.625 0.726 . . . . 0.0 109.703 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.88 -34.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.349 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m -49.85 -47.36 51.75 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.274 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.357 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.93 94.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.76 -16.05 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.36 -34.98 11.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.038 0.447 . . . . 0.0 110.493 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.13 -27.76 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.553 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.32 16.74 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.52 -0.198 0 O-C-N 123.318 0.386 . . . . 0.0 110.548 -179.125 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 13' ' ' ILE . . . . . 0.558 HG22 HG23 ' E' ' 17' ' ' VAL . 32.6 mm . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.725 0.298 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 14' ' ' VAL . . . . . 0.477 HG23 ' N ' ' E' ' 15' ' ' ASN . 35.5 m -53.6 -41.74 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.211 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 15' ' ' ASN . . . . . 0.477 ' N ' HG23 ' E' ' 14' ' ' VAL . 80.1 m-20 -59.65 -57.93 10.79 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.35 -179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -56.93 -36.61 70.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.558 HG23 HG22 ' E' ' 13' ' ' ILE . 24.8 t -62.27 -43.11 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 18' ' ' LEU . . . . . 0.451 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.57 -27.09 47.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.751 179.659 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 19' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' D' ' 20' ' ' PHE . 10.5 tp -52.44 -24.25 7.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CE2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -58.12 -15.09 8.29 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.582 179.141 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp -51.93 -17.66 1.07 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 22' ' ' ALA . . . . . 0.407 ' O ' HG22 ' E' ' 25' ' ' VAL . . . -51.87 -29.32 19.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 23' ' ' PHE . . . . . 0.491 ' CE1' HD23 ' E' ' 27' ' ' LEU . 0.0 OUTLIER -85.86 -20.19 29.47 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.973 0.416 . . . . 0.0 110.484 179.431 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.684 HG22 HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -55.04 -29.04 21.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 110.959 -179.506 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 25' ' ' VAL . . . . . 0.707 HG11 HG22 ' D' ' 24' ' ' VAL . 13.8 m -83.97 -34.83 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.103 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.8 -27.19 66.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 27' ' ' LEU . . . . . 0.491 HD23 ' CE1' ' E' ' 23' ' ' PHE . 0.2 OUTLIER -80.95 -32.84 34.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.394 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.45 HD12 HG12 ' A' ' 25' ' ' VAL . 3.0 tt -64.02 -46.34 84.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.599 0.714 . . . . 0.0 109.712 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.81 -34.65 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.321 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 11.6 m -49.76 -47.35 50.96 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.67 -34.78 76.26 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.301 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.92 94.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 pt -80.64 -18.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -37.7 8.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 110.353 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.02 -29.49 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.572 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.66 7.1 27.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.651 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 CA--C 1.52 -0.186 0 O-C-N 123.49 0.494 . . . . 0.0 111.127 -177.722 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.708 0.289 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.1 -28.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.01 -52.39 63.29 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.56 . . . . 0.0 110.722 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.76 -41.3 92.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.66 -22.4 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.011 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' C ' HD13 ' A' ' 18' ' ' LEU . 3.0 tm? -72.02 -43.89 64.29 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.658 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -54.81 -18.98 5.47 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.647 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.36 1.41 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.071 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.63 -22.77 0.83 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.944 -0.117 . . . . 0.0 110.967 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.08 71.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.692 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -33.79 65.91 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 110.164 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.644 HG13 HG11 ' B' ' 25' ' ' VAL . 0.4 OUTLIER -79.19 -31.89 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.377 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.666 HG11 HG13 ' E' ' 24' ' ' VAL . 99.2 t -57.91 -49.71 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.543 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 30' ' ' THR . 2.6 m-85 -71.09 -44.07 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.083 0.468 . . . . 0.0 111.09 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.91 69.72 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.355 0.598 . . . . 0.0 111.109 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.542 ' HG ' HG12 ' B' ' 25' ' ' VAL . 2.4 mm? -75.09 -44.86 44.96 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.766 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.473 ' HB ' HD12 ' E' ' 28' ' ' LEU . 0.3 OUTLIER -55.21 -24.42 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.241 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 26' ' ' PHE . 20.2 p -57.2 -45.92 83.35 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.8 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.74 -40.76 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.219 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.94 55.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.401 HD11 HD12 ' E' ' 31' ' ' LEU . 0.4 OUTLIER -71.48 -30.38 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.667 -179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -25.65 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.295 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.2 p -92.33 -27.64 17.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.902 0.382 . . . . 0.0 110.311 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.7 5.23 29.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 110.668 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.642 0.258 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.92 -28.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.151 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -55.08 -52.35 63.5 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.226 0.536 . . . . 0.0 110.693 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.79 -41.27 92.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.625 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.64 -22.42 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.039 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.436 HD13 ' C ' ' B' ' 18' ' ' LEU . 3.0 tm? -72.07 -43.89 64.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.639 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -54.66 -19.04 5.29 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -23.55 1.43 Allowed 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.019 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.45 -22.87 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.933 -0.121 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.05 71.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.647 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -33.84 65.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.655 HG13 HG11 ' C' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.89 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 -179.305 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.644 HG11 HG13 ' A' ' 24' ' ' VAL . 99.1 t -57.98 -49.75 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.471 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 30' ' ' THR . 2.6 m-85 -71.06 -44.07 66.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 0.0 111.127 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.82 69.58 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.398 0.618 . . . . 0.0 111.202 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.54 ' HG ' HG12 ' C' ' 25' ' ' VAL . 2.4 mm? -75.15 -44.92 44.13 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.761 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -55.26 -24.3 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 119.506 -0.878 . . . . 0.0 110.272 -179.428 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 26' ' ' PHE . 20.3 p -57.33 -45.77 83.94 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.818 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.72 -40.77 89.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.55 55.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -30.37 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.617 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -25.61 4.64 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.277 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -92.47 -27.47 17.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.911 0.386 . . . . 0.0 110.179 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.04 6.15 26.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.848 0.356 . . . . 0.0 110.529 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.653 0.263 . . . . 0.0 110.643 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.03 -28.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.124 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.02 -52.31 63.55 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.2 0.524 . . . . 0.0 110.734 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.83 -41.3 91.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.72 -22.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.051 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.43 ' C ' HD13 ' C' ' 18' ' ' LEU . 3.0 tm? -72.13 -43.88 64.01 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.689 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.467 HD12 ' O ' ' C' ' 19' ' ' LEU . 0.7 OUTLIER -54.68 -19.02 5.3 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.61 179.748 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -23.45 1.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.075 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.58 -22.82 0.82 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.002 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.21 -39.15 72.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.603 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -33.92 65.65 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.936 0.398 . . . . 0.0 110.182 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.648 HG13 HG11 ' D' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.92 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.655 HG11 HG13 ' B' ' 24' ' ' VAL . 99.3 t -57.86 -49.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.54 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.444 ' O ' HG23 ' C' ' 30' ' ' THR . 2.6 m-85 -71.06 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 111.128 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.97 69.77 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.336 0.589 . . . . 0.0 111.122 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.533 ' HG ' HG12 ' D' ' 25' ' ' VAL . 2.4 mm? -75.09 -44.87 44.95 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.824 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' B' ' 28' ' ' LEU . 0.3 OUTLIER -55.1 -24.52 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.262 -179.506 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 30' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 26' ' ' PHE . 20.1 p -57.15 -45.92 83.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.856 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.7 -40.76 88.97 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.58 55.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -30.32 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.731 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -25.68 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.285 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 22.5 p -92.36 -27.48 17.51 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.09 6.16 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.783 0.325 . . . . 0.0 110.527 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.75 0.31 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.41 HG11 ' CB ' ' E' ' 15' ' ' ASN . 8.7 p -48.13 -28.9 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -55.11 -52.29 63.71 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.18 0.514 . . . . 0.0 110.692 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -65.79 -41.41 91.98 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.64 -22.41 23.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.974 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.425 ' C ' HD13 ' D' ' 18' ' ' LEU . 3.0 tm? -71.94 -43.97 64.37 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.716 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 19' ' ' LEU . . . . . 0.468 ' O ' HD12 ' D' ' 19' ' ' LEU . 0.7 OUTLIER -54.68 -19.05 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.623 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -23.56 1.39 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.034 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.52 -22.88 0.81 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.879 -0.146 . . . . 0.0 110.964 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.13 71.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.669 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -33.83 65.78 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 110.205 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.638 HG13 HG11 ' E' ' 25' ' ' VAL . 0.4 OUTLIER -79.19 -31.95 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 -179.294 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.648 HG11 HG13 ' C' ' 24' ' ' VAL . 99.2 t -57.85 -49.76 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.495 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.45 ' O ' HG23 ' D' ' 30' ' ' THR . 2.6 m-85 -71.12 -43.97 66.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.039 0.447 . . . . 0.0 111.109 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -31.96 69.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.329 0.585 . . . . 0.0 111.099 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.53 ' HG ' HG12 ' E' ' 25' ' ' VAL . 2.4 mm? -75.08 -44.91 44.76 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.761 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' C' ' 28' ' ' LEU . 0.3 OUTLIER -55.18 -24.45 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.251 -179.432 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 30' ' ' THR . . . . . 0.45 HG23 ' O ' ' D' ' 26' ' ' PHE . 20.1 p -57.23 -45.84 83.51 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.854 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.78 -40.68 89.08 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.21 -18.88 54.87 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -30.32 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -25.63 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.29 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -27.67 17.35 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.882 0.372 . . . . 0.0 110.194 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 5.21 29.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.988 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.717 0.294 . . . . 0.0 110.606 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.716 0.293 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.41 -28.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.054 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 15' ' ' ASN . . . . . 0.41 ' CB ' HG11 ' D' ' 14' ' ' VAL . 58.4 m-80 -55.04 -52.36 63.41 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.226 0.536 . . . . 0.0 110.738 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.77 -41.35 92.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.72 -22.4 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.948 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 18' ' ' LEU . . . . . 0.42 HD13 ' C ' ' E' ' 18' ' ' LEU . 3.0 tm? -71.98 -43.86 64.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.72 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 19' ' ' LEU . . . . . 0.467 ' O ' HD12 ' E' ' 19' ' ' LEU . 0.7 OUTLIER -54.71 -19.05 5.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.676 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.38 1.41 Allowed 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.028 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.67 -22.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.877 -0.147 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.18 -39.2 72.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.88 65.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.143 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.666 HG13 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.94 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.231 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 25' ' ' VAL . . . . . 0.638 HG11 HG13 ' D' ' 24' ' ' VAL . 98.9 t -57.96 -49.73 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.467 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 26' ' ' PHE . . . . . 0.443 ' O ' HG23 ' E' ' 30' ' ' THR . 2.6 m-85 -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.047 0.451 . . . . 0.0 111.055 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.93 69.68 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.393 0.616 . . . . 0.0 111.215 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.536 ' HG ' HG12 ' A' ' 25' ' ' VAL . 2.4 mm? -75.15 -44.83 44.68 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.797 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 29' ' ' VAL . . . . . 0.474 ' HB ' HD12 ' D' ' 28' ' ' LEU . 0.3 OUTLIER -55.23 -24.35 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.215 -179.488 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 30' ' ' THR . . . . . 0.443 HG23 ' O ' ' E' ' 26' ' ' PHE . 20.2 p -57.22 -45.93 83.39 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.831 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 31' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 33' ' ' ILE . 3.5 mm? -59.65 -40.81 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.27 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.61 -20.06 54.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.53 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.838 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.64 -25.67 4.5 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.366 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 22.6 p -92.42 -27.68 17.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.41 . . . . 0.0 110.295 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 1.63 39.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.078 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.338 0.092 0 CA-C-O 120.683 0.277 . . . . 0.0 110.875 -179.385 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.2 m -49.45 -27.97 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -62.68 -57.74 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.321 0.582 . . . . 0.0 110.652 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.76 -27.93 69.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 13' ' ' ILE . 65.2 t -63.86 -42.32 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -71.01 -24.5 62.38 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.415 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' E' ' 18' ' ' LEU . 5.5 tt -51.42 -26.02 7.27 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.022 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.428 ' HD1' ' N ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.16 -9.19 4.36 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.428 ' N ' ' HD1' ' A' ' 20' ' ' PHE . 21.1 tp -53.15 -26.57 17.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 111.631 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.34 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.548 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.08 71.32 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.518 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -73.91 -18.89 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -178.157 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' C ' HD21 ' E' ' 28' ' ' LEU . 0.2 OUTLIER -82.48 -56.48 5.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.304 -179.424 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -43.44 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.504 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.39 98.24 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.289 0.566 . . . . 0.0 110.498 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 24' ' ' VAL . 4.9 mp -63.53 -48.1 78.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' HB3' ' E' ' 28' ' ' LEU . 0.6 OUTLIER -61.39 -31.56 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.473 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.11 79.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.18 -25.66 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.402 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.51 -23.05 27.89 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.749 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.64 -27.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.455 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.17 -31.34 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.43 HG21 ' HB1' ' B' ' 36' ' ' ALA . 5.3 t -98.77 -25.39 14.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.204 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB1' HG21 ' E' ' 35' ' ' THR . . . -62.76 -30.53 71.51 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.626 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 17' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -49.5 -27.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.64 -57.88 9.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.344 0.592 . . . . 0.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -27.9 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.302 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 13' ' ' ILE . 65.1 t -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.507 ' O ' HD12 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -70.98 -24.53 62.41 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.404 HD12 ' CB ' ' A' ' 18' ' ' LEU . 5.5 tt -51.38 -26.11 7.27 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.43 ' HD1' ' N ' ' B' ' 21' ' ' LEU . 0.1 OUTLIER -61.29 -8.82 4.16 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.43 ' N ' ' HD1' ' B' ' 20' ' ' PHE . 21.3 tp -53.55 -26.22 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.547 0.213 . . . . 0.0 111.547 -177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -26.39 61.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.574 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -36.09 71.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.532 ' O ' HD13 ' B' ' 28' ' ' LEU . 0.4 OUTLIER -74.04 -18.6 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -178.133 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.461 ' C ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -82.63 -56.4 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.304 -179.436 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.421 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.05 -43.38 95.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.481 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.13 -41.46 98.27 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.329 0.585 . . . . 0.0 110.476 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.532 HD13 ' O ' ' B' ' 24' ' ' VAL . 4.9 mp -63.52 -48.01 79.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.976 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.429 HG21 ' HB3' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -61.48 -31.5 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.482 179.468 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -42.14 79.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.737 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.31 -25.48 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.89 -22.02 27.7 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.62 -27.0 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.387 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -47.41 -31.17 3.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.423 HG21 ' HB1' ' C' ' 36' ' ' ALA . 5.3 t -98.94 -25.38 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.43 ' HB1' HG21 ' A' ' 35' ' ' THR . . . -62.77 -30.5 71.5 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.657 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.588 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.412 ' O ' HG23 ' C' ' 17' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -49.54 -27.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.63 -57.85 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 0.0 110.628 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -63.65 -27.95 69.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.412 HG23 ' O ' ' C' ' 13' ' ' ILE . 66.5 t -63.86 -42.29 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.495 HD12 ' O ' ' C' ' 18' ' ' LEU . 0.3 OUTLIER -70.95 -24.59 62.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.314 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' B' ' 18' ' ' LEU . 5.5 tt -51.46 -25.98 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.092 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.423 ' HD1' ' N ' ' C' ' 21' ' ' LEU . 0.1 OUTLIER -61.31 -8.82 4.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.865 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.423 ' N ' ' HD1' ' C' ' 20' ' ' PHE . 21.3 tp -53.49 -26.39 20.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.573 0.225 . . . . 0.0 111.557 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.32 60.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.546 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -36.14 71.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.532 ' O ' HD13 ' C' ' 28' ' ' LEU . 0.4 OUTLIER -74.03 -18.59 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.886 0.374 . . . . 0.0 110.969 -178.13 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.454 ' C ' HD21 ' B' ' 28' ' ' LEU . 0.2 OUTLIER -82.64 -56.43 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.299 -179.426 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.413 ' HA ' HD21 ' B' ' 28' ' ' LEU . 0.1 OUTLIER -59.89 -43.49 94.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.565 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.08 -41.45 98.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.39 0.614 . . . . 0.0 110.537 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.532 HD13 ' O ' ' C' ' 24' ' ' VAL . 4.9 mp -63.58 -48.02 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -61.39 -31.58 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.515 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -42.06 79.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.727 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.34 -25.46 59.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.353 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.95 -22.08 27.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.59 -27.05 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.37 -31.19 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.456 HG21 ' HB1' ' D' ' 36' ' ' ALA . 5.3 t -98.89 -25.37 14.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.173 179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' B' ' 35' ' ' THR . . . -62.78 -30.44 71.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.636 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.692 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.41 ' O ' HG23 ' D' ' 17' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.975 0.417 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 26.2 m -49.45 -27.98 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -62.72 -57.77 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.323 0.582 . . . . 0.0 110.627 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -63.78 -27.85 69.47 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' D' ' 13' ' ' ILE . 65.1 t -63.87 -42.26 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.499 ' O ' HD12 ' D' ' 18' ' ' LEU . 0.3 OUTLIER -71.03 -24.57 62.39 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.348 179.67 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.36 -26.03 7.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.432 ' HD1' ' N ' ' D' ' 21' ' ' LEU . 0.1 OUTLIER -61.19 -9.13 4.33 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.872 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.432 ' N ' ' HD1' ' D' ' 20' ' ' PHE . 21.2 tp -53.14 -26.58 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.612 0.244 . . . . 0.0 111.61 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.29 -26.35 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.555 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -36.16 71.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.226 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.531 ' O ' HD13 ' D' ' 28' ' ' LEU . 0.4 OUTLIER -73.88 -18.88 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 -178.147 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.451 ' C ' HD21 ' C' ' 28' ' ' LEU . 0.2 OUTLIER -82.45 -56.41 6.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.341 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.434 ' HA ' HD21 ' C' ' 28' ' ' LEU . 0.1 OUTLIER -60.06 -43.35 95.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.477 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.21 -41.44 98.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.286 0.565 . . . . 0.0 110.432 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.531 HD13 ' O ' ' D' ' 24' ' ' VAL . 4.9 mp -63.53 -48.1 78.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.446 HG21 ' HB3' ' C' ' 28' ' ' LEU . 0.6 OUTLIER -61.29 -31.62 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.49 179.491 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.1 79.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.695 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.17 -25.85 59.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.38 -23.07 28.13 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.799 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.5 -27.31 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.497 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.23 -31.23 3.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' THR . . . . . 0.401 HG21 ' HB1' ' E' ' 36' ' ' ALA . 5.2 t -98.83 -25.42 14.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.152 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 36' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' C' ' 35' ' ' THR . . . -62.8 -30.5 71.52 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.624 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.638 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 13' ' ' ILE . . . . . 0.411 ' O ' HG23 ' E' ' 17' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 26.3 m -49.46 -27.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -62.79 -57.52 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.569 . . . . 0.0 110.661 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -63.83 -27.92 69.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.411 HG23 ' O ' ' E' ' 13' ' ' ILE . 66.0 t -63.8 -42.39 95.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 18' ' ' LEU . . . . . 0.506 ' O ' HD12 ' E' ' 18' ' ' LEU . 0.3 OUTLIER -70.99 -24.59 62.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.354 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 19' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' D' ' 18' ' ' LEU . 5.5 tt -51.33 -26.26 7.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.206 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.418 ' HD1' ' N ' ' E' ' 21' ' ' LEU . 0.1 OUTLIER -58.97 -12.92 5.15 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.363 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 21' ' ' LEU . . . . . 0.418 ' N ' ' HD1' ' E' ' 20' ' ' PHE . 20.9 tp -51.28 -26.57 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -176.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.5 -26.24 61.0 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.519 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -36.24 71.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.533 ' O ' HD13 ' E' ' 28' ' ' LEU . 0.4 OUTLIER -73.52 -19.68 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.82 0.343 . . . . 0.0 110.783 -178.169 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 25' ' ' VAL . . . . . 0.441 ' C ' HD21 ' D' ' 28' ' ' LEU . 0.2 OUTLIER -82.05 -56.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.372 -179.248 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 26' ' ' PHE . . . . . 0.426 ' HA ' HD21 ' D' ' 28' ' ' LEU . 0.1 OUTLIER -60.05 -43.4 95.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.527 -179.708 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.4 98.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.301 0.572 . . . . 0.0 110.458 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.533 HD13 ' O ' ' E' ' 24' ' ' VAL . 5.0 mp -63.62 -47.91 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 29' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' D' ' 28' ' ' LEU . 0.6 OUTLIER -61.48 -31.47 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 119.874 -0.731 . . . . 0.0 109.386 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -42.06 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.756 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.21 -26.13 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.28 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.17 -26.06 29.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.19 -29.11 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.217 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -46.72 -31.36 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 35' ' ' THR . . . . . 0.425 HG21 ' HB1' ' A' ' 36' ' ' ALA . 5.3 t -98.85 -25.37 14.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.151 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 36' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' D' ' 35' ' ' THR . . . -62.77 -30.55 71.54 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.606 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 120.739 0.304 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.549 HG21 ' OG ' ' B' ' 16' ' ' SER . 5.4 t -55.56 -42.85 70.36 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.4 -57.87 10.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 111.424 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.543 ' OG ' HG21 ' E' ' 14' ' ' VAL . 66.9 m -58.62 -34.13 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.092 0.472 . . . . 0.0 109.911 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.64 -21.84 14.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.71 -42.54 86.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.282 0.563 . . . . 0.0 110.612 -179.268 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.59 -14.35 29.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.707 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -17.31 40.18 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.83 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 18' ' ' LEU . 2.8 pp -70.65 -8.13 49.58 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.771 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' E' ' 21' ' ' LEU . . . -82.24 -16.52 49.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.014 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -35.75 65.27 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.25 0.548 . . . . 0.0 110.547 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.481 HG13 HG11 ' B' ' 25' ' ' VAL . 5.9 p -72.59 -25.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.301 0.572 . . . . 0.0 111.133 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG11 HG13 ' E' ' 24' ' ' VAL . 6.4 t -62.01 -54.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.422 0.629 . . . . 0.0 110.613 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -29.84 70.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.88 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -32.3 69.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.164 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD22 HD11 ' E' ' 28' ' ' LEU . 3.3 tt -72.69 -36.49 67.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.988 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.508 ' CG1' HD22 ' E' ' 31' ' ' LEU . 53.3 t -57.07 -50.49 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.59 -43.89 95.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.959 HD23 HD13 ' B' ' 33' ' ' ILE . 2.4 mp -66.36 -27.83 68.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.799 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.58 27.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.931 HD13 HD23 ' E' ' 31' ' ' LEU . 1.8 tp -62.64 -23.28 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.09 -43.18 30.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.838 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.76 -30.02 7.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.865 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.26 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.371 -179.774 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 120.716 0.293 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.508 HG21 ' OG ' ' C' ' 16' ' ' SER . 5.3 t -55.57 -43.04 71.22 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.13 -58.43 8.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.17 0.509 . . . . 0.0 111.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.549 ' OG ' HG21 ' A' ' 14' ' ' VAL . 66.1 m -58.06 -34.27 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.071 0.462 . . . . 0.0 110.031 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.57 -21.89 14.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.608 ' O ' HD23 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -66.84 -42.35 85.93 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.549 -179.212 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.79 -14.01 28.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.652 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -16.85 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.749 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.608 HD23 ' O ' ' B' ' 18' ' ' LEU . 2.8 pp -71.28 -6.82 42.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.727 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.576 ' HB2' ' CB ' ' A' ' 21' ' ' LEU . . . -83.4 -16.38 46.11 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.962 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -35.7 65.01 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.213 0.53 . . . . 0.0 110.567 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.472 HG13 HG11 ' C' ' 25' ' ' VAL . 6.2 p -72.48 -25.57 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.336 0.588 . . . . 0.0 111.176 -178.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.481 HG11 HG13 ' A' ' 24' ' ' VAL . 6.3 t -62.01 -54.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.369 0.604 . . . . 0.0 110.569 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.93 70.83 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.865 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.86 -32.33 69.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.16 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.541 HD11 HD22 ' C' ' 28' ' ' LEU . 3.3 tt -72.7 -36.52 67.85 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.936 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.522 ' CG1' HD22 ' A' ' 31' ' ' LEU . 53.2 t -57.05 -50.5 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.55 -43.98 95.49 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.301 0.572 . . . . 0.0 110.583 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.956 HD23 HD13 ' C' ' 33' ' ' ILE . 2.4 mp -66.4 -27.82 68.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.53 -35.51 27.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.959 HD13 HD23 ' A' ' 31' ' ' LEU . 1.8 tp -62.65 -23.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.949 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 tt -48.09 -42.74 29.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -113.44 -29.84 7.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.35 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.393 -179.792 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.735 0.302 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.542 HG21 ' OG ' ' D' ' 16' ' ' SER . 5.4 t -55.55 -42.88 70.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.27 -58.36 8.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 111.39 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' SER . . . . . 0.508 ' OG ' HG21 ' B' ' 14' ' ' VAL . 66.7 m -58.18 -34.17 70.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.047 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.52 -21.97 14.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.603 ' O ' HD23 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -66.79 -42.44 85.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.599 -179.183 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.77 -13.91 27.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.704 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -16.85 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.735 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.603 HD23 ' O ' ' C' ' 18' ' ' LEU . 2.8 pp -71.29 -6.84 42.88 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.715 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.581 ' HB2' ' CB ' ' B' ' 21' ' ' LEU . . . -83.44 -16.37 46.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.968 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -35.73 65.19 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.281 0.562 . . . . 0.0 110.571 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.454 HG13 HG11 ' D' ' 25' ' ' VAL . 6.2 p -72.52 -25.53 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.576 . . . . 0.0 111.171 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.472 HG11 HG13 ' B' ' 24' ' ' VAL . 6.1 t -62.03 -54.62 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.602 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -29.94 70.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -32.4 69.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.121 -0.631 . . . . 0.0 110.185 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.541 HD22 HD11 ' B' ' 28' ' ' LEU . 3.3 tt -72.77 -36.4 67.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.514 ' CG1' HD22 ' B' ' 31' ' ' LEU . 53.4 t -57.11 -50.57 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.39 -43.92 96.17 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.69 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' LEU . . . . . 0.945 HD23 HD13 ' D' ' 33' ' ' ILE . 2.4 mp -66.42 -27.85 68.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.792 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.52 -35.52 27.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.956 HD13 HD23 ' B' ' 31' ' ' LEU . 1.8 tp -62.73 -23.35 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.87 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.03 -42.75 29.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -113.49 -29.81 7.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -61.37 -35.52 77.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.736 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 -179.761 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 tt . . . . . 0 CA--C 1.522 -0.114 0 CA-C-O 120.689 0.28 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.552 HG21 ' OG ' ' E' ' 16' ' ' SER . 5.5 t -55.59 -42.9 70.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.37 -57.92 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.109 0.481 . . . . 0.0 111.374 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' SER . . . . . 0.542 ' OG ' HG21 ' C' ' 14' ' ' VAL . 67.4 m -58.6 -34.11 70.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.54 -21.98 14.11 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.587 ' O ' HD23 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -66.62 -42.63 86.52 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.612 -179.233 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.57 -14.33 29.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.687 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -17.25 39.56 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.836 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.589 ' CB ' ' HB2' ' E' ' 22' ' ' ALA . 2.8 pp -70.74 -8.07 49.5 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.709 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 22' ' ' ALA . . . . . 0.575 ' HB2' ' CB ' ' C' ' 21' ' ' LEU . . . -82.2 -16.57 49.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.097 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -35.73 65.2 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.221 0.534 . . . . 0.0 110.585 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.481 HG13 HG11 ' E' ' 25' ' ' VAL . 6.1 p -72.47 -25.49 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.306 0.574 . . . . 0.0 111.169 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.454 HG11 HG13 ' C' ' 24' ' ' VAL . 6.2 t -62.05 -54.55 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.299 0.571 . . . . 0.0 110.632 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.91 70.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.25 69.4 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.154 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.54 HD11 HD22 ' E' ' 28' ' ' LEU . 3.2 tt -72.71 -36.48 67.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.978 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.518 ' CG1' HD22 ' C' ' 31' ' ' LEU . 53.3 t -57.16 -50.37 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.978 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.53 -43.95 95.66 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.239 0.542 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.971 HD23 HD13 ' E' ' 33' ' ' ILE . 2.5 mp -66.35 -27.88 68.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.45 -35.65 27.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.945 HD13 HD23 ' C' ' 31' ' ' LEU . 1.8 tp -62.58 -23.28 32.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.01 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.07 -43.26 30.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -112.88 -30.01 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.831 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -61.24 -35.28 76.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.796 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -179.738 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.7 0.286 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 14' ' ' VAL . . . . . 0.543 HG21 ' OG ' ' A' ' 16' ' ' SER . 5.6 t -55.54 -42.94 70.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.971 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.71 -57.19 13.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.146 0.498 . . . . 0.0 111.502 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 16' ' ' SER . . . . . 0.552 ' OG ' HG21 ' D' ' 14' ' ' VAL . 67.5 m -58.97 -34.17 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.51 -22.0 14.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 18' ' ' LEU . . . . . 0.596 ' O ' HD23 ' E' ' 21' ' ' LEU . 0.2 OUTLIER -66.64 -42.66 86.36 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.586 -179.219 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -60.85 -15.8 34.31 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.638 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -18.37 32.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.592 0.234 . . . . 0.0 111.018 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 21' ' ' LEU . . . . . 0.596 HD23 ' O ' ' E' ' 18' ' ' LEU . 2.7 pp -67.02 -14.32 62.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.549 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 22' ' ' ALA . . . . . 0.589 ' HB2' ' CB ' ' D' ' 21' ' ' LEU . . . -78.65 -16.75 56.95 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.331 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -35.78 65.5 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.254 0.55 . . . . 0.0 110.639 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.486 HG12 ' O ' ' E' ' 21' ' ' LEU . 5.8 p -72.53 -25.48 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.278 0.561 . . . . 0.0 111.131 -178.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 25' ' ' VAL . . . . . 0.481 HG11 HG13 ' D' ' 24' ' ' VAL . 6.1 t -62.01 -54.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.611 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -29.83 70.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.875 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -32.28 69.4 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.16 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.54 HD22 HD11 ' D' ' 28' ' ' LEU . 3.3 tt -72.78 -36.35 67.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.01 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 29' ' ' VAL . . . . . 0.519 ' CG1' HD22 ' D' ' 31' ' ' LEU . 53.6 t -57.27 -50.38 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.912 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.52 -43.91 95.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.625 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 31' ' ' LEU . . . . . 0.931 HD23 HD13 ' A' ' 33' ' ' ILE . 2.4 mp -66.45 -27.86 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.761 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.49 27.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.971 HD13 HD23 ' D' ' 31' ' ' LEU . 1.8 tp -62.71 -23.26 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.989 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -47.91 -44.55 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.719 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 5.6 t -110.7 -30.85 7.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.237 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 36' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -61.02 -35.3 76.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 -178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.405 -179.846 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.407 HG22 HG23 ' A' ' 17' ' ' VAL . 11.0 mm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.675 0.274 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.57 -36.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 0.0 110.933 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -55.2 38.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.137 0.494 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 t -59.67 -41.3 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.889 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 13' ' ' ILE . 52.7 t -61.41 -41.13 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.295 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.52 ' HG ' HD23 ' A' ' 21' ' ' LEU . 66.8 tp -54.44 -34.25 61.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -23.19 6.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.648 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -13.69 47.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.635 0.255 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.669 HD11 HD13 ' E' ' 21' ' ' LEU . 0.6 OUTLIER -69.43 -24.31 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.447 -179.066 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' E' ' 21' ' ' LEU . . . -70.25 -44.38 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.424 -178.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.62 -36.24 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.865 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.433 HG22 ' CE2' ' A' ' 23' ' ' PHE . 45.2 t -62.42 -39.31 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.94 -59.72 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -23.49 61.36 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.491 -0.883 . . . . 0.0 110.701 -177.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 23' ' ' PHE . 2.6 tp -63.74 -51.83 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 0.0 110.464 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' CB ' HG22 ' B' ' 29' ' ' VAL . 1.1 pp -53.84 -26.2 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.264 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG22 ' CB ' ' E' ' 28' ' ' LEU . 8.3 t -71.49 -45.08 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.211 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -31.88 68.15 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.076 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -45.76 46.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.28 65.87 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.331 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -66.98 -43.14 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.178 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.02 -20.38 9.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.0 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' HB1' HG21 ' E' ' 35' ' ' THR . . . -89.85 -3.57 58.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.372 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.695 0.283 . . . . 0.0 110.623 -179.535 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.406 HG22 HG23 ' B' ' 17' ' ' VAL . 11.0 mm . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.769 0.319 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.55 -36.39 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.894 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -55.17 38.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 111.222 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.72 -41.33 90.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.876 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.406 HG23 HG22 ' B' ' 13' ' ' ILE . 52.7 t -61.41 -41.04 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.378 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' B' ' 21' ' ' LEU . 66.4 tp -54.53 -34.38 61.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -23.04 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.668 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -12.64 43.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.625 0.25 . . . . 0.0 111.449 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.659 HD13 HD11 ' C' ' 21' ' ' LEU . 0.7 OUTLIER -70.37 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 111.246 -178.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . . . -70.17 -44.38 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.408 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.538 ' CE1' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -50.63 -36.34 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.915 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.434 HG22 ' CE2' ' B' ' 23' ' ' PHE . 44.9 t -62.21 -39.47 84.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.279 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.4 ' HA ' HD23 ' B' ' 28' ' ' LEU . 21.7 t -61.9 -60.0 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.9 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE1' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -58.61 -23.55 59.11 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.687 -177.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' B' ' 23' ' ' PHE . 2.6 tp -63.69 -51.86 63.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.056 0.455 . . . . 0.0 110.475 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.439 ' CB ' HG22 ' C' ' 29' ' ' VAL . 1.1 pp -53.87 -26.23 23.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.24 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' B' ' 28' ' ' LEU . 8.2 t -71.38 -45.18 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.24 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -31.88 68.11 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.168 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.1 -45.87 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -28.41 66.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.366 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mt -66.91 -43.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.13 -19.96 8.9 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.685 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.433 HG21 ' HB1' ' C' ' 36' ' ' ALA . 1.2 p -110.08 -24.89 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.469 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.53 57.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.714 0.292 . . . . 0.0 110.618 -179.522 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.409 HG22 HG23 ' C' ' 17' ' ' VAL . 11.0 mm . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.719 0.295 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.6 -36.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.862 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -55.21 38.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.272 0.558 . . . . 0.0 111.229 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -59.77 -41.31 90.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.83 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.409 HG23 HG22 ' C' ' 13' ' ' ILE . 52.5 t -61.4 -41.08 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.507 ' HG ' HD23 ' C' ' 21' ' ' LEU . 66.6 tp -54.62 -34.2 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -23.04 5.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.566 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -12.69 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.646 0.26 . . . . 0.0 111.494 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.659 HD11 HD13 ' B' ' 21' ' ' LEU . 0.7 OUTLIER -70.32 -24.32 62.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.241 -179.008 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' B' ' 21' ' ' LEU . . . -70.11 -44.39 69.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.543 ' CE1' HD13 ' C' ' 27' ' ' LEU . 0.0 OUTLIER -50.69 -36.3 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.878 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' C' ' 23' ' ' PHE . 45.1 t -62.25 -39.42 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.275 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.88 -60.03 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.915 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.405 ' CE1' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -58.75 -23.39 59.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.727 -177.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' C' ' 23' ' ' PHE . 2.6 tp -63.77 -51.89 62.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 0.0 110.421 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.41 ' CB ' HG22 ' D' ' 29' ' ' VAL . 1.1 pp -53.87 -26.11 23.16 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.269 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' B' ' 28' ' ' LEU . 8.1 t -71.46 -45.2 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.233 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -31.89 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.123 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -45.68 46.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.054 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.34 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.33 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mt -66.97 -43.09 89.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.186 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.1 -19.95 8.72 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.724 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -110.1 -24.95 10.47 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.457 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . 0.433 ' HB1' HG21 ' B' ' 35' ' ' THR . . . -89.88 -3.63 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.288 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.28 . . . . 0.0 110.552 -179.542 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.422 HG22 HG23 ' D' ' 17' ' ' VAL . 10.9 mm . . . . . 0 CA--C 1.53 0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.39 -36.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.931 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -55.18 38.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.167 0.508 . . . . 0.0 111.179 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.73 -41.28 90.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.886 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' VAL . . . . . 0.422 HG23 HG22 ' D' ' 13' ' ' ILE . 52.6 t -61.51 -41.01 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.311 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' D' ' 21' ' ' LEU . 66.4 tp -54.52 -34.28 61.46 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 19' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' C' ' 18' ' ' LEU . 0.5 OUTLIER -52.58 -23.26 6.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.564 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -13.73 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 0.0 111.38 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.644 HD13 HD11 ' E' ' 21' ' ' LEU . 0.6 OUTLIER -69.3 -24.37 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.378 -179.054 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 22' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' C' ' 21' ' ' LEU . . . -70.25 -44.35 68.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' D' ' 27' ' ' LEU . 0.0 OUTLIER -50.67 -36.28 34.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.788 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.432 HG22 ' CE2' ' D' ' 23' ' ' PHE . 44.9 t -62.33 -39.45 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.216 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.402 ' HA ' HD23 ' D' ' 28' ' ' LEU . 21.7 t -61.82 -59.85 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -23.45 61.03 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.672 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' D' ' 23' ' ' PHE . 2.6 tp -63.68 -51.9 63.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 110.474 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.404 ' CB ' HG22 ' E' ' 29' ' ' VAL . 1.1 pp -53.9 -26.12 23.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' C' ' 28' ' ' LEU . 8.2 t -71.37 -45.24 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.282 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.98 68.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.176 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -45.77 47.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -28.34 65.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.94 -43.16 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.151 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.94 -20.44 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.618 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.04 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.522 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.44 58.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 0.0 110.605 -179.575 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 13' ' ' ILE . . . . . 0.42 HG22 HG23 ' E' ' 17' ' ' VAL . 11.0 mm . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.27 -36.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.897 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -55.12 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.207 0.527 . . . . 0.0 111.109 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -59.68 -41.35 90.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.9 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.42 HG23 HG22 ' E' ' 13' ' ' ILE . 52.5 t -61.47 -40.99 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 18' ' ' LEU . . . . . 0.529 ' HG ' HD23 ' E' ' 21' ' ' LEU . 66.5 tp -54.56 -34.17 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 19' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' D' ' 18' ' ' LEU . 0.5 OUTLIER -52.66 -23.34 6.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.665 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -15.6 56.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 21' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -67.98 -24.59 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.523 -178.761 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' D' ' 21' ' ' LEU . . . -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.426 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 23' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' E' ' 27' ' ' LEU . 0.0 OUTLIER -50.52 -36.37 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.874 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.436 HG22 ' CE2' ' E' ' 23' ' ' PHE . 44.5 t -62.26 -39.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.237 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.13 -59.3 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.041 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 26' ' ' PHE . . . . . 0.423 ' CE1' HD23 ' D' ' 27' ' ' LEU . 0.1 OUTLIER -59.29 -23.44 62.43 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.684 -177.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 27' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' E' ' 23' ' ' PHE . 2.6 tp -63.61 -51.95 63.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.054 0.454 . . . . 0.0 110.483 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.426 ' CB ' HG22 ' A' ' 29' ' ' VAL . 1.1 pp -53.82 -26.16 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 29' ' ' VAL . . . . . 0.408 ' N ' ' HG ' ' E' ' 28' ' ' LEU . 8.5 t -71.5 -45.04 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.29 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.39 -31.92 68.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.166 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -45.85 46.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.42 -28.37 66.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.407 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.88 -43.17 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.207 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.82 -21.06 10.04 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.54 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 35' ' ' THR . . . . . 0.402 HG21 ' HB1' ' A' ' 36' ' ' ALA . 1.2 p -108.78 -25.33 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.697 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.76 -3.46 58.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 110.524 -179.584 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.6 t -59.71 -43.82 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.453 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.67 -49.46 76.41 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.289 0.566 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.74 -41.9 82.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.831 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.429 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 54.4 t -70.55 -33.27 52.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.85 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.641 ' O ' HD13 ' B' ' 19' ' ' LEU . 0.4 OUTLIER -54.71 -22.01 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.852 179.319 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 ' O ' ' E' ' 18' ' ' LEU . 14.2 tp -106.65 0.11 24.13 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.774 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.429 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -53.32 -22.72 7.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.591 179.744 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -55.15 -17.42 4.19 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.972 179.425 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.63 ' N ' HD23 ' A' ' 21' ' ' LEU . . . -49.08 -24.27 1.53 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.236 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -70.8 -33.13 70.4 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.099 0.476 . . . . 0.0 111.196 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.731 HG13 HG11 ' B' ' 25' ' ' VAL . 0.4 OUTLIER -70.51 -29.24 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.526 -178.685 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.728 HG11 HG13 ' E' ' 24' ' ' VAL . 66.3 t -61.97 -47.64 92.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.424 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.49 -37.63 87.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.773 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.13 76.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.307 0.575 . . . . 0.0 110.486 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -44.16 92.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.107 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -28.57 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.233 0.54 . . . . 0.0 110.018 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -40.96 98.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.485 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.94 -25.27 59.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.634 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 2.3 mt -63.76 -39.13 84.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.29 -37.25 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.35 -18.55 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -77.92 -1.87 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.964 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.272 -179.648 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.183 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.65 -43.93 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.476 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.73 -49.36 76.73 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.296 0.569 . . . . 0.0 110.916 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.62 -41.94 82.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.878 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.413 ' O ' ' HD2' ' B' ' 20' ' ' PHE . 54.2 t -70.49 -32.96 51.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.869 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.62 ' O ' HD13 ' C' ' 19' ' ' LEU . 0.4 OUTLIER -55.4 -20.25 11.57 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.085 179.377 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.641 HD13 ' O ' ' A' ' 18' ' ' LEU . 14.4 tp -109.05 1.64 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.595 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 0.6 OUTLIER -54.46 -22.37 12.53 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.489 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.635 HD23 ' N ' ' B' ' 22' ' ' ALA . 0.5 OUTLIER -55.34 -17.28 4.51 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.951 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.635 ' N ' HD23 ' B' ' 21' ' ' LEU . . . -49.28 -24.13 1.69 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.263 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' B' ' 24' ' ' VAL . 2.6 p90 -70.85 -33.15 70.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.084 0.469 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.712 HG13 HG11 ' C' ' 25' ' ' VAL . 0.4 OUTLIER -70.6 -29.12 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -178.606 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.731 HG11 HG13 ' A' ' 24' ' ' VAL . 67.1 t -62.05 -47.63 92.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.48 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.38 -37.71 87.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.914 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.59 -35.03 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.441 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.23 92.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.088 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -28.64 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -46.4 88.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.337 0.589 . . . . 0.0 110.053 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -41.0 98.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.81 -25.39 60.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.463 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.636 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 2.3 mt -63.72 -39.17 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.33 -37.23 16.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.29 -18.66 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.777 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -77.97 -1.84 33.99 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.954 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.946 0.403 . . . . 0.0 110.285 -179.704 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.68 -43.85 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.501 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.69 -49.51 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -57.43 -42.1 81.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.433 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 54.6 t -70.65 -32.85 50.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.642 ' O ' HD13 ' D' ' 19' ' ' LEU . 0.4 OUTLIER -55.33 -20.49 11.71 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.084 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.62 HD13 ' O ' ' B' ' 18' ' ' LEU . 14.3 tp -108.9 1.59 20.89 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.502 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 0.6 OUTLIER -54.51 -22.35 12.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.618 HD23 ' N ' ' C' ' 22' ' ' ALA . 0.5 OUTLIER -55.37 -17.19 4.45 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.849 179.426 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.618 ' N ' HD23 ' C' ' 21' ' ' LEU . . . -49.29 -24.22 1.74 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.261 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' C' ' 24' ' ' VAL . 2.6 p90 -70.75 -33.17 70.53 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.091 0.472 . . . . 0.0 111.237 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.731 HG13 HG11 ' D' ' 25' ' ' VAL . 0.4 OUTLIER -70.57 -29.2 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.577 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 25' ' ' VAL . . . . . 0.712 HG11 HG13 ' B' ' 24' ' ' VAL . 65.7 t -61.94 -47.65 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.451 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.46 -37.64 87.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.892 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.61 -35.05 76.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.266 0.555 . . . . 0.0 110.428 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -44.2 92.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.109 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -28.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.126 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.359 0.6 . . . . 0.0 110.051 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.91 97.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.85 -25.4 60.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.624 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 2.3 mt -63.75 -39.17 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.38 -37.27 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.27 -18.58 19.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.803 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -77.9 -1.86 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.004 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.812 0.339 . . . . 0.0 110.315 -179.726 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.679 0.276 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.67 -43.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.49 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.71 -49.41 76.55 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.288 0.566 . . . . 0.0 110.918 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.67 -41.96 82.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 54.4 t -70.54 -33.28 52.77 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.832 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.653 ' O ' HD13 ' E' ' 19' ' ' LEU . 0.4 OUTLIER -54.79 -21.91 12.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.427 -0.509 . . . . 0.0 109.85 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 19' ' ' LEU . . . . . 0.642 HD13 ' O ' ' C' ' 18' ' ' LEU . 14.1 tp -106.67 0.08 24.06 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.792 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 0.6 OUTLIER -53.35 -22.8 7.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.487 179.769 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.623 HD23 ' N ' ' D' ' 22' ' ' ALA . 0.5 OUTLIER -55.08 -17.47 4.06 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.95 179.403 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 22' ' ' ALA . . . . . 0.623 ' N ' HD23 ' D' ' 21' ' ' LEU . . . -48.98 -24.39 1.49 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.399 -0.521 . . . . 0.0 111.254 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 23' ' ' PHE . . . . . 0.404 ' CG ' ' N ' ' D' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.15 70.53 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.213 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.743 HG13 HG11 ' E' ' 25' ' ' VAL . 0.4 OUTLIER -70.48 -29.18 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.561 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.731 HG11 HG13 ' C' ' 24' ' ' VAL . 66.4 t -61.95 -47.72 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.427 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.45 -37.75 87.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.02 76.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.19 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.081 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -28.49 45.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.207 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -46.49 87.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.225 0.536 . . . . 0.0 110.018 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -41.03 98.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.9 -25.24 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.498 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.628 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 2.3 mt -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.35 -37.25 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.36 -18.49 19.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.783 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -77.97 -1.88 34.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.365 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.128 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.67 -43.8 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.75 -49.31 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.16 0.505 . . . . 0.0 110.931 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.8 -41.97 83.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.788 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 53.9 t -70.36 -33.79 55.48 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.971 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 18' ' ' LEU . . . . . 0.617 ' O ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.54 -26.8 22.7 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 19' ' ' LEU . . . . . 0.653 HD13 ' O ' ' D' ' 18' ' ' LEU . 12.8 tp -96.33 -8.88 31.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.432 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 0.5 OUTLIER -49.56 -23.27 1.56 Allowed 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.151 -0.343 . . . . 0.0 111.083 -176.695 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 21' ' ' LEU . . . . . 0.635 HD23 ' N ' ' E' ' 22' ' ' ALA . 0.5 OUTLIER -53.91 -19.08 4.02 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.911 179.068 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 22' ' ' ALA . . . . . 0.635 ' N ' HD23 ' E' ' 21' ' ' LEU . . . -48.21 -24.47 1.17 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.324 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 23' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' E' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.27 70.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.114 0.483 . . . . 0.0 111.201 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.728 HG13 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -70.43 -29.21 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.587 -178.725 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 25' ' ' VAL . . . . . 0.743 HG11 HG13 ' D' ' 24' ' ' VAL . 67.5 t -62.06 -47.67 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.332 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.39 -37.75 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.881 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.52 -35.1 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.288 0.566 . . . . 0.0 110.415 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -44.11 92.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.123 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.139 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.91 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.085 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 -25.3 59.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.421 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.631 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 2.3 mt -63.76 -39.15 84.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.045 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.43 -37.17 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.37 -18.53 19.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.742 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 36' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -78.0 -1.83 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.983 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.286 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p 47.12 26.83 0.7 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.967 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.35 -41.37 78.51 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.505 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -85.71 -14.29 45.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.568 0.223 . . . . 0.0 110.919 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.4 -27.86 61.69 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.773 0.32 . . . . 0.0 110.77 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.58 -20.27 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' THR . 35.8 m -49.6 -39.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.397 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . 4.4 m120 -59.38 -59.37 5.55 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.34 0.591 . . . . 0.0 111.399 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -59.83 -36.08 76.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.497 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.77 -46.64 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.211 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.24 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.66 -23.99 13.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.913 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -17.87 4.51 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.6 6.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.78 39.48 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.96 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -31.86 64.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.058 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.56 HG13 HG11 ' B' ' 25' ' ' VAL . 0.5 OUTLIER -64.75 -30.29 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.453 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG11 HG13 ' E' ' 24' ' ' VAL . 39.7 t -68.44 -58.27 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.25 -25.38 61.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.239 0.542 . . . . 0.0 109.824 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tt -70.61 -39.35 73.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.202 0.525 . . . . 0.0 110.205 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -60.31 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.002 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.401 HG13 HD12 ' E' ' 28' ' ' LEU . 34.0 m -69.73 -28.9 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.308 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.93 75.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.22 -40.14 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.981 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.587 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 33.8 mm -84.46 -24.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.01 -29.46 12.52 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.222 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.78 -21.29 13.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.478 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -88.23 -3.99 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.02 -78.07 0.04 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.536 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.452 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p 47.26 26.66 0.73 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.27 -41.05 80.54 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.495 ' O ' HG13 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -86.14 -14.17 44.93 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.889 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.44 -27.94 61.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.736 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.59 -20.17 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.495 HG13 ' O ' ' B' ' 11' ' ' THR . 35.9 m -49.68 -39.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.337 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASN . . . . . 0.421 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.4 m120 -59.11 -59.94 4.67 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.371 0.605 . . . . 0.0 111.33 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -59.48 -35.99 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.549 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.84 -46.62 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.182 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -56.02 -31.16 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.67 -23.98 13.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.917 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.14 -17.69 4.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.988 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -19.48 6.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.76 40.95 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.893 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.87 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.06 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.538 HG13 HG11 ' C' ' 25' ' ' VAL . 0.5 OUTLIER -64.76 -30.33 49.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.56 HG11 HG13 ' A' ' 24' ' ' VAL . 39.5 t -68.42 -58.31 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.27 -25.3 61.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.237 0.541 . . . . 0.0 109.783 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.66 -39.45 73.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.203 0.525 . . . . 0.0 110.174 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -60.29 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 28' ' ' LEU . 34.0 m -69.63 -28.96 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.386 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.89 75.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.28 -40.11 71.12 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.69 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.571 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 33.9 mm -84.56 -24.41 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.03 -29.49 12.77 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.194 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.25 13.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.481 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -88.21 -4.04 58.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.63 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.04 -78.03 0.04 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.475 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p 47.16 26.74 0.7 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.27 -41.05 80.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.501 ' O ' HG13 ' C' ' 14' ' ' VAL . 0.2 OUTLIER -86.12 -14.19 44.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.639 0.257 . . . . 0.0 110.895 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.42 -27.96 61.72 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.78 0.324 . . . . 0.0 110.703 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.56 -20.22 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.501 HG13 ' O ' ' C' ' 11' ' ' THR . 35.8 m -49.62 -39.23 14.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.326 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ASN . . . . . 0.42 ' N ' HG23 ' C' ' 14' ' ' VAL . 4.4 m120 -59.16 -59.88 4.75 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.37 0.605 . . . . 0.0 111.37 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.9 m -59.45 -36.09 75.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -58.79 -46.62 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.27 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.61 -24.1 12.97 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -17.78 4.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.979 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -19.39 6.22 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.519 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.25 -51.71 42.22 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.81 64.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 110.036 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.555 HG13 HG11 ' D' ' 25' ' ' VAL . 0.5 OUTLIER -64.74 -30.32 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.497 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.538 HG11 HG13 ' B' ' 24' ' ' VAL . 39.6 t -68.44 -58.29 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.23 -25.3 61.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.255 0.55 . . . . 0.0 109.854 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.63 -39.41 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.198 0.523 . . . . 0.0 110.269 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' B' ' 28' ' ' LEU . 0.6 OUTLIER -60.29 -47.43 86.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.071 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.4 HG13 HD12 ' B' ' 28' ' ' LEU . 34.0 m -69.71 -28.89 39.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.339 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.98 76.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.17 -40.12 71.47 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.975 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.64 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.596 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 33.8 mm -84.6 -24.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -29.43 13.39 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.26 13.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -88.18 -4.04 58.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.637 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.05 -78.09 0.04 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.905 0.383 . . . . 0.0 110.525 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.47 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p 47.19 26.77 0.72 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.32 -41.4 78.63 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' THR . . . . . 0.499 ' O ' HG13 ' D' ' 14' ' ' VAL . 0.2 OUTLIER -85.68 -14.28 45.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.956 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.34 -27.94 61.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.808 0.337 . . . . 0.0 110.815 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.61 -20.18 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.499 HG13 ' O ' ' D' ' 11' ' ' THR . 35.8 m -49.65 -39.18 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.327 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ASN . . . . . 0.41 ' N ' HG23 ' D' ' 14' ' ' VAL . 4.4 m120 -59.3 -59.45 5.44 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 111.411 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -59.77 -36.09 75.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.507 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.73 -46.68 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.214 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.93 -31.31 62.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.55 -24.06 12.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.934 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -17.85 4.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.01 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -19.56 6.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.533 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.11 -51.7 40.87 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -31.89 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.061 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.549 HG13 HG11 ' E' ' 25' ' ' VAL . 0.5 OUTLIER -64.73 -30.29 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.555 HG11 HG13 ' C' ' 24' ' ' VAL . 39.6 t -68.49 -58.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.33 -25.37 61.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.267 0.556 . . . . 0.0 109.797 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.62 -39.38 73.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.166 0.508 . . . . 0.0 110.239 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' E' ' 28' ' ' LEU . 0.6 OUTLIER -60.31 -47.5 85.75 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.7 -28.86 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.341 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -44.98 76.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.24 -40.1 71.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.966 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.79 76.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 34.0 mm -84.47 -24.42 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.45 12.8 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.237 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -104.77 -21.34 13.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.452 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -88.19 -3.98 58.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.637 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.04 -78.14 0.04 OUTLIER 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.476 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p 47.22 26.67 0.72 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.09 -42.37 77.1 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' THR . . . . . 0.494 ' O ' HG13 ' E' ' 14' ' ' VAL . 0.2 OUTLIER -84.03 -15.02 49.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.657 0.265 . . . . 0.0 111.209 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.23 -27.85 61.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.754 0.312 . . . . 0.0 110.855 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.66 -20.19 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' VAL . . . . . 0.494 HG13 ' O ' ' E' ' 11' ' ' THR . 35.8 m -49.65 -39.16 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.287 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 15' ' ' ASN . . . . . 0.424 ' N ' HG23 ' E' ' 14' ' ' VAL . 4.3 m120 -59.81 -58.3 9.15 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.303 0.573 . . . . 0.0 111.554 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -60.43 -36.08 77.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.83 -46.68 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.167 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.92 -31.24 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.69 -24.01 13.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.882 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -17.93 4.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.043 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.41 -19.91 6.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.501 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.76 38.41 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.917 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.86 64.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.076 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.537 HG13 HG11 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -64.78 -30.3 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 25' ' ' VAL . . . . . 0.549 HG11 HG13 ' D' ' 24' ' ' VAL . 39.5 t -68.39 -58.43 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.11 -25.41 61.33 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.6 -39.39 73.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.225 0.536 . . . . 0.0 110.226 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' D' ' 28' ' ' LEU . 0.6 OUTLIER -60.37 -47.49 85.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.947 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.63 -28.93 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.406 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.35 -44.78 76.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.33 -40.09 70.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.939 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.05 77.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 34.1 mm -84.05 -24.61 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -29.44 12.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.243 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.74 -21.37 13.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -88.19 -4.0 58.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.602 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 67.98 -78.06 0.04 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.464 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.89 -63.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.447 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.43 -21.63 70.67 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.43 -16.5 56.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.563 0.221 . . . . 0.0 110.683 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.0 mt -79.63 -48.55 13.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.75 0.309 . . . . 0.0 110.831 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -56.22 -20.07 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.71 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.12 -34.31 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.301 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.637 ' HA ' HD23 ' A' ' 18' ' ' LEU . 17.7 m-80 -58.82 -49.14 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.299 0.571 . . . . 0.0 110.685 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.12 -30.47 71.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.194 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 98.2 t -68.35 -56.34 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.337 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -52.82 -19.67 2.67 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.655 0.597 . . . . 0.0 111.461 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -24.18 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 16.7 p90 -62.45 -8.22 5.81 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.135 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' B' ' 22' ' ' ALA . 0.2 OUTLIER -56.24 -15.67 4.22 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.184 -0.322 . . . . 0.0 111.234 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.696 ' HB1' HG11 ' E' ' 24' ' ' VAL . . . -86.11 -25.32 25.85 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -42.36 99.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.407 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.688 HG11 ' HB1' ' B' ' 22' ' ' ALA . 17.0 m -62.54 -27.03 42.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.7 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.45 -50.44 51.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.319 0.581 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -33.87 74.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.077 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.45 -44.56 95.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.364 0.602 . . . . 0.0 110.0 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.6 HD22 HD11 ' E' ' 28' ' ' LEU . 3.2 tt -59.43 -36.39 75.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.711 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 t -64.4 -37.69 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.81 -29.77 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.56 . . . . 0.0 110.259 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.52 -45.82 13.14 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.85 90.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.35 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 29' ' ' VAL . 1.7 tt -73.5 -33.03 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.593 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.65 -26.48 3.72 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.83 -30.8 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.458 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.99 86.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.076 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.42 1.49 3.65 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.169 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 117.807 -1.092 . . . . 0.0 110.243 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.92 -63.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.405 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.29 -21.75 70.49 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.37 -16.51 56.13 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.688 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.59 -48.57 13.57 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.836 0.351 . . . . 0.0 110.822 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt -56.21 -20.03 8.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.743 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 t -56.09 -34.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ASN . . . . . 0.645 ' HA ' HD23 ' B' ' 18' ' ' LEU . 17.5 m-80 -58.94 -49.05 79.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.319 0.58 . . . . 0.0 110.608 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -62.14 -30.5 71.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.157 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' B' ' 20' ' ' PHE . 97.8 t -68.39 -56.37 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.234 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' B' ' 15' ' ' ASN . 0.6 OUTLIER -52.77 -19.67 2.63 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.565 0.54 . . . . 0.0 111.472 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -23.86 0.33 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.453 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 17.0 p90 -63.13 -7.14 5.09 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.845 -0.161 . . . . 0.0 111.157 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' C' ' 22' ' ' ALA . 0.2 OUTLIER -57.23 -15.19 5.33 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 122.232 -0.292 . . . . 0.0 111.064 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.688 ' HB1' HG11 ' A' ' 24' ' ' VAL . . . -86.47 -25.02 25.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.39 98.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' C' ' 22' ' ' ALA . 16.7 m -62.58 -27.08 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.602 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.39 -50.52 50.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.263 0.554 . . . . 0.0 110.704 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.91 74.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.132 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.52 -44.48 96.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.318 0.58 . . . . 0.0 109.947 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.601 HD11 HD22 ' C' ' 28' ' ' LEU . 3.2 tt -59.38 -36.45 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 33' ' ' ILE . 2.0 t -64.42 -37.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.64 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.66 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 110.315 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -45.84 13.06 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.82 90.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 110.371 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.488 HG22 ' O ' ' B' ' 29' ' ' VAL . 1.7 tt -73.6 -33.06 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.501 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.66 -26.55 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.73 -30.78 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.521 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.97 86.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp 70.48 1.44 3.64 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.121 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.787 -1.102 . . . . 0.0 110.265 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.86 -63.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.416 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -21.73 70.61 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.34 -16.52 56.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.574 0.226 . . . . 0.0 110.706 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 mt -79.72 -48.49 13.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.8 0.334 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt -56.17 -20.1 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.662 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.16 -34.24 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.297 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ASN . . . . . 0.641 ' HA ' HD23 ' C' ' 18' ' ' LEU . 17.7 m-80 -58.88 -48.91 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 110.659 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.25 -30.53 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.195 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.457 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 98.2 t -68.4 -56.35 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.292 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.641 HD23 ' HA ' ' C' ' 15' ' ' ASN . 0.6 OUTLIER -52.77 -19.62 2.6 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.532 0.52 . . . . 0.0 111.468 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.89 -23.89 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.457 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 16.7 p90 -63.1 -7.12 4.95 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.163 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' D' ' 22' ' ' ALA . 0.2 OUTLIER -57.25 -15.13 5.28 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 122.246 -0.284 . . . . 0.0 111.099 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' B' ' 24' ' ' VAL . . . -86.52 -25.04 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -42.42 98.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.328 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.692 HG11 ' HB1' ' D' ' 22' ' ' ALA . 17.0 m -62.5 -27.08 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.738 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -69.43 -50.52 50.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.734 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.8 74.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.137 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.59 -44.39 96.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.039 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.615 HD11 HD22 ' D' ' 28' ' ' LEU . 3.2 tt -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.71 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.482 ' O ' HG22 ' C' ' 33' ' ' ILE . 2.0 t -64.49 -37.61 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -29.76 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.263 0.554 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.44 -45.91 13.12 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.396 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.482 HG22 ' O ' ' C' ' 29' ' ' VAL . 1.7 tt -73.6 -33.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.606 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.69 -26.42 3.73 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.82 -30.79 11.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.017 0.436 . . . . 0.0 110.52 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.96 85.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.111 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.44 1.44 3.63 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.146 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.236 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 7.2 m -157.96 -63.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.42 -21.59 70.61 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.44 -16.47 56.07 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.725 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 mt -79.63 -48.57 13.53 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.731 0.3 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt -56.21 -20.05 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.12 -34.31 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ASN . . . . . 0.649 ' HA ' HD23 ' D' ' 18' ' ' LEU . 17.8 m-80 -58.83 -49.08 79.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 110.699 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.14 -30.55 71.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.188 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 97.6 t -68.37 -56.36 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.254 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' D' ' 15' ' ' ASN . 0.6 OUTLIER -52.76 -19.62 2.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.573 0.546 . . . . 0.0 111.507 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -24.06 0.36 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.088 0.243 . . . . 0.0 111.637 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.453 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 16.9 p90 -62.55 -8.18 5.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.141 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' E' ' 22' ' ' ALA . 0.2 OUTLIER -56.29 -15.7 4.36 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.187 -179.474 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ALA . . . . . 0.692 ' HB1' HG11 ' C' ' 24' ' ' VAL . . . -86.02 -25.36 26.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -42.42 99.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.68 HG11 ' HB1' ' E' ' 22' ' ' ALA . 16.9 m -62.57 -27.05 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.675 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.51 -50.31 51.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.696 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -33.73 74.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.099 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.38 96.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.325 0.583 . . . . 0.0 109.976 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.615 HD22 HD11 ' C' ' 28' ' ' LEU . 3.2 tt -59.45 -36.38 75.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.694 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.476 ' O ' HG22 ' D' ' 33' ' ' ILE . 2.0 t -64.42 -37.67 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.606 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.72 70.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.219 0.533 . . . . 0.0 110.238 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.5 -45.89 13.07 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.78 90.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.369 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.476 HG22 ' O ' ' D' ' 29' ' ' VAL . 1.7 tt -73.56 -33.18 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.543 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -26.51 3.56 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -30.81 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.93 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.46 1.46 3.64 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.113 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.829 -1.082 . . . . 0.0 110.186 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.89 -63.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.452 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -21.7 70.6 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.44 -16.43 56.15 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.633 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.7 -48.53 13.52 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.785 0.326 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -56.12 -20.09 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -56.1 -34.33 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.251 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' ASN . . . . . 0.658 ' HA ' HD23 ' E' ' 18' ' ' LEU . 17.6 m-80 -58.92 -49.08 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.213 0.53 . . . . 0.0 110.597 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.04 -30.6 71.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.446 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 98.2 t -68.35 -56.27 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 18' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' E' ' 15' ' ' ASN . 0.6 OUTLIER -52.88 -19.37 2.5 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.61 0.569 . . . . 0.0 111.515 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.27 -24.32 0.46 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.587 0.232 . . . . 0.0 111.586 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.446 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 15.5 p90 -59.99 -12.59 8.34 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.088 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 21' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -52.62 -17.91 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.152 -0.342 . . . . 0.0 111.623 -179.28 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 22' ' ' ALA . . . . . 0.68 ' HB1' HG11 ' D' ' 24' ' ' VAL . . . -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.835 0.35 . . . . 0.0 110.096 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.61 99.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.383 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.696 HG11 ' HB1' ' A' ' 22' ' ' ALA . 16.9 m -62.56 -26.95 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.662 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -69.51 -50.47 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.205 0.526 . . . . 0.0 110.649 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -33.76 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.128 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.34 96.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.315 0.578 . . . . 0.0 110.059 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 28' ' ' LEU . 3.1 tt -59.5 -36.34 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.71 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 29' ' ' VAL . . . . . 0.49 ' O ' HG22 ' E' ' 33' ' ' ILE . 2.0 t -64.37 -37.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.584 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -29.61 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.255 0.55 . . . . 0.0 110.306 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -45.95 13.02 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.82 90.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.355 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.49 HG22 ' O ' ' E' ' 29' ' ' VAL . 1.7 tt -73.6 -33.04 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.531 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.85 -30.89 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 0.0 110.428 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.0 86.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.092 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.43 1.51 3.65 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.122 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.869 -1.063 . . . . 0.0 110.244 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.494 1.769 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 76.3 -51.52 0.6 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.359 0.412 . . . . 0.0 110.924 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' O ' HG13 ' A' ' 14' ' ' VAL . . . -59.49 -15.59 32.79 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.477 ' O ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -47.44 -31.15 3.89 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-O 120.807 0.336 . . . . 0.0 111.067 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.5 -31.21 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.659 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.629 HG22 HG23 ' A' ' 17' ' ' VAL . 5.5 mm -70.31 -20.36 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 11' ' ' THR . 17.2 m -48.58 -34.41 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.544 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.291 0.567 . . . . 0.0 111.039 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -58.29 -36.15 72.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.716 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.629 HG23 HG22 ' A' ' 13' ' ' ILE . 2.7 t -53.74 -48.59 60.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.78 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -60.02 -20.94 60.47 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.601 179.597 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -17.45 0.39 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD12 HD22 ' B' ' 21' ' ' LEU . 5.8 tt -49.22 -20.14 0.57 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 121.994 0.118 . . . . 0.0 110.98 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -18.4 4.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.725 0.297 . . . . 0.0 111.352 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.43 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' B' ' 25' ' ' VAL . 0.9 OUTLIER -69.76 -50.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.56 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG11 ' CG2' ' E' ' 24' ' ' VAL . 0.1 OUTLIER -47.4 -54.5 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.326 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' E' ' 27' ' ' LEU . 10.5 m-85 -64.26 -38.58 91.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.989 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' B' ' 26' ' ' PHE . 13.7 tp -61.12 -41.13 96.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.73 -40.24 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -34.56 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.731 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -56.71 -48.15 78.35 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.361 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' N ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.32 -38.93 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.77 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.504 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.65 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -72.58 -33.1 43.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.611 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.45 -32.32 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.566 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.85 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -64.45 -21.15 66.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 73.83 0.83 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.436 0.636 . . . . 0.0 110.377 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.251 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 76.21 -51.44 0.6 Allowed 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.378 0.424 . . . . 0.0 110.94 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.456 ' O ' HG13 ' B' ' 14' ' ' VAL . . . -59.71 -15.31 33.24 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.477 ' O ' HG22 ' B' ' 14' ' ' VAL . 0.9 OUTLIER -47.61 -31.04 4.11 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.804 0.335 . . . . 0.0 111.051 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.68 -31.12 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.636 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.62 HG22 HG23 ' B' ' 17' ' ' VAL . 5.5 mm -70.32 -20.43 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.974 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 11' ' ' THR . 17.2 m -48.46 -34.47 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.538 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.42 -59.62 4.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.239 0.543 . . . . 0.0 111.067 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.35 -36.25 73.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.639 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.62 HG23 HG22 ' B' ' 13' ' ' ILE . 2.7 t -53.76 -48.56 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.779 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.15 -28.82 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.665 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.484 ' O ' HD12 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -59.91 -21.06 60.59 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.595 179.518 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -17.53 0.4 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 21' ' ' LEU . 5.8 tt -49.14 -20.13 0.54 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 122.044 0.138 . . . . 0.0 110.962 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -18.21 3.99 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 111.394 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -28.35 19.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.437 ' CG2' HG11 ' C' ' 25' ' ' VAL . 0.9 OUTLIER -69.81 -50.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -47.42 -54.56 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.282 -179.465 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.456 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 10.5 m-85 -64.19 -38.59 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.972 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.445 HD21 ' CZ ' ' C' ' 26' ' ' PHE . 13.7 tp -61.08 -41.12 96.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.527 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.14 94.73 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.47 -34.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.683 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.422 HG22 ' N ' ' B' ' 31' ' ' LEU . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.062 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.422 ' N ' HG22 ' B' ' 30' ' ' THR . 0.1 OUTLIER -66.23 -39.04 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.32 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.63 -24.81 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.507 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.659 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 0.1 OUTLIER -72.52 -33.12 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.633 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.49 -32.24 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.534 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.78 -30.84 10.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.366 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -64.48 -21.12 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.81 73.9 0.84 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.412 0.625 . . . . 0.0 110.368 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.21 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 76.19 -51.43 0.61 Allowed 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.334 0.396 . . . . 0.0 110.918 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLY . . . . . 0.459 ' O ' HG13 ' C' ' 14' ' ' VAL . . . -59.65 -15.33 32.89 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.478 ' O ' HG22 ' C' ' 14' ' ' VAL . 0.9 OUTLIER -47.66 -30.99 4.17 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-O 120.782 0.325 . . . . 0.0 111.056 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -31.06 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.634 HG22 HG23 ' C' ' 17' ' ' VAL . 5.5 mm -70.36 -20.41 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.478 HG22 ' O ' ' C' ' 11' ' ' THR . 17.2 m -48.41 -34.5 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.564 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.45 -59.74 4.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.279 0.562 . . . . 0.0 110.981 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.23 -36.23 72.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.646 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.634 HG23 HG22 ' C' ' 13' ' ' ILE . 2.7 t -53.71 -48.59 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.804 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.19 -28.8 69.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.487 HD12 ' O ' ' C' ' 19' ' ' LEU . 0.1 OUTLIER -59.94 -21.05 60.65 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.503 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -17.55 0.4 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.52 HD22 HD12 ' B' ' 21' ' ' LEU . 5.8 tt -49.11 -20.08 0.52 Allowed 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.508 -0.12 . . . . 0.0 110.991 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -18.16 3.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.669 0.271 . . . . 0.0 111.334 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -28.29 19.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.447 ' CG2' HG11 ' D' ' 25' ' ' VAL . 0.9 OUTLIER -69.87 -50.65 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.521 179.464 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.447 ' N ' HG12 ' C' ' 24' ' ' VAL . 0.1 OUTLIER -47.3 -54.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.366 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' B' ' 27' ' ' LEU . 10.5 m-85 -64.22 -38.52 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.013 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' D' ' 26' ' ' PHE . 13.7 tp -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.471 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.77 -40.25 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -34.46 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.7 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' THR . . . . . 0.416 HG22 ' N ' ' C' ' 31' ' ' LEU . 0.8 OUTLIER -56.73 -48.15 78.4 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.001 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 31' ' ' LEU . . . . . 0.416 ' N ' HG22 ' C' ' 30' ' ' THR . 0.1 OUTLIER -66.22 -39.01 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.83 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.484 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.649 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 0.1 OUTLIER -72.5 -33.1 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.633 -179.644 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.5 -32.26 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.75 -30.83 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.406 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -64.49 -21.14 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.765 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 73.84 0.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.428 0.633 . . . . 0.0 110.375 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.23 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.495 1.795 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 76.25 -51.4 0.6 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.431 0.457 . . . . 0.0 110.954 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' GLY . . . . . 0.447 ' O ' HG13 ' D' ' 14' ' ' VAL . . . -59.66 -15.51 33.7 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 11' ' ' THR . . . . . 0.487 ' O ' HG22 ' D' ' 14' ' ' VAL . 0.9 OUTLIER -47.49 -31.1 3.93 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-O 120.827 0.346 . . . . 0.0 111.051 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.56 -31.17 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.642 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.63 HG22 HG23 ' D' ' 17' ' ' VAL . 5.5 mm -70.33 -20.37 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.487 HG22 ' O ' ' D' ' 11' ' ' THR . 17.3 m -48.61 -34.31 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.587 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -59.59 4.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.341 0.591 . . . . 0.0 111.033 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.5 m -58.27 -36.22 72.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.721 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' VAL . . . . . 0.63 HG23 HG22 ' D' ' 13' ' ' ILE . 2.7 t -53.68 -48.6 59.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.808 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.19 -28.8 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' LEU . . . . . 0.482 ' O ' HD12 ' D' ' 19' ' ' LEU . 0.1 OUTLIER -59.98 -20.96 60.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.583 179.543 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -17.44 0.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.515 HD22 HD12 ' C' ' 21' ' ' LEU . 5.8 tt -49.22 -20.1 0.57 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.356 0.122 . . . . 0.0 110.978 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.41 -18.42 4.16 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 111.312 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.48 20.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.44 HG12 ' N ' ' D' ' 25' ' ' VAL . 0.9 OUTLIER -69.8 -50.64 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.556 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' C' ' 24' ' ' VAL . 0.1 OUTLIER -47.35 -54.6 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.285 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' C' ' 27' ' ' LEU . 10.6 m-85 -64.22 -38.56 91.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.442 HD21 ' CZ ' ' E' ' 26' ' ' PHE . 13.8 tp -61.15 -41.08 96.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.21 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -34.57 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.645 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' THR . . . . . 0.415 HG22 ' N ' ' D' ' 31' ' ' LEU . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.037 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.415 ' N ' HG22 ' D' ' 30' ' ' THR . 0.1 OUTLIER -66.24 -39.05 89.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.331 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.73 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.526 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.649 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 0.1 OUTLIER -72.52 -33.2 44.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 -179.662 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.44 -32.29 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.554 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.87 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -64.38 -21.25 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.81 73.86 0.84 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.382 0.611 . . . . 0.0 110.36 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.189 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 76.39 -51.49 0.6 Allowed 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.334 0.396 . . . . 0.0 110.977 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 10' ' ' GLY . . . . . 0.447 ' O ' HG13 ' E' ' 14' ' ' VAL . . . -58.87 -16.85 33.28 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 11' ' ' THR . . . . . 0.49 ' O ' HG22 ' E' ' 14' ' ' VAL . 0.9 OUTLIER -46.76 -31.57 3.07 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.757 0.313 . . . . 0.0 111.078 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.99 -31.47 20.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 13' ' ' ILE . . . . . 0.623 HG22 HG23 ' E' ' 17' ' ' VAL . 5.6 mm -70.18 -20.3 22.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 14' ' ' VAL . . . . . 0.49 HG22 ' O ' ' E' ' 11' ' ' THR . 17.3 m -48.69 -34.23 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.506 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -58.4 6.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.167 0.508 . . . . 0.0 111.214 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -59.0 -36.15 74.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.616 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.623 HG23 HG22 ' E' ' 13' ' ' ILE . 2.7 t -53.71 -48.71 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.73 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.09 -28.85 70.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' LEU . . . . . 0.491 ' O ' HD12 ' E' ' 19' ' ' LEU . 0.1 OUTLIER -59.98 -20.92 60.29 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 179.568 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -17.78 0.41 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 21' ' ' LEU . . . . . 0.514 HD22 HD12 ' D' ' 21' ' ' LEU . 5.8 tt -48.9 -20.44 0.5 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.057 0.143 . . . . 0.0 110.959 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -18.98 4.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.769 0.319 . . . . 0.0 111.289 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -28.93 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.443 ' CG2' HG11 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -69.61 -50.69 48.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 25' ' ' VAL . . . . . 0.437 HG11 ' CG2' ' D' ' 24' ' ' VAL . 0.1 OUTLIER -47.32 -54.55 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.299 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 26' ' ' PHE . . . . . 0.442 ' CZ ' HD21 ' D' ' 27' ' ' LEU . 10.5 m-85 -64.25 -38.56 91.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 27' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 13.7 tp -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.491 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.79 -40.2 94.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -34.44 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.721 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 30' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 31' ' ' LEU . 0.8 OUTLIER -56.77 -48.16 78.49 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.003 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 31' ' ' LEU . . . . . 0.423 ' N ' HG22 ' E' ' 30' ' ' THR . 0.1 OUTLIER -66.22 -39.0 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.72 -24.73 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.492 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.634 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 0.1 OUTLIER -72.48 -33.26 44.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.63 -179.69 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.4 -32.28 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.7 -30.89 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -64.39 -21.22 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.77 73.85 0.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.425 0.631 . . . . 0.0 110.341 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.243 179.867 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.12 134.72 22.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.65 -22.8 76.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.3 p -69.55 -12.71 61.87 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.175 -0.21 . . . . 0.0 110.803 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -24.64 27.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.813 0.339 . . . . 0.0 110.403 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp -68.11 -28.96 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.983 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.9 t -52.94 -64.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.06 0.457 . . . . 0.0 110.549 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -64.9 -33.78 76.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.47 -47.81 78.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.45 -47.46 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.31 -27.36 67.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.477 0.486 . . . . 0.0 110.469 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.22 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.92 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.0 -22.8 2.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.6 0.238 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.74 -22.77 3.81 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.524 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.74 -28.06 5.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.671 0.272 . . . . 0.0 110.748 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.22 -31.08 15.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.42 ' CG2' HG21 ' B' ' 25' ' ' VAL . 0.5 OUTLIER -72.09 -32.93 45.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 0.0 111.058 -179.164 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 26' ' ' PHE . 29.9 m -67.11 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.466 0.65 . . . . 0.0 110.611 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 30' ' ' THR . 6.6 m-85 -71.27 -30.09 65.86 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.779 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.68 98.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.088 0.47 . . . . 0.0 109.844 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.16 -37.88 81.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.853 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 33' ' ' ILE . 55.1 t -61.92 -41.79 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 26' ' ' PHE . 17.1 p -61.05 -40.59 94.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.67 -16.94 37.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.765 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.34 -22.49 21.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.467 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 29' ' ' VAL . 8.5 tt -92.08 -33.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.824 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.16 -27.33 13.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.69 1.3 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.87 -38.26 64.55 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.499 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.04 134.73 22.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.408 ' O ' HG22 ' B' ' 13' ' ' ILE . . . -69.7 -22.75 76.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.3 p -69.7 -12.6 61.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.558 0.218 . . . . 0.0 110.781 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.22 -24.69 28.77 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.774 0.321 . . . . 0.0 110.386 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.408 HG22 ' O ' ' B' ' 10' ' ' GLY . 9.4 tp -67.89 -29.16 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.891 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.1 t -52.65 -65.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.484 . . . . 0.0 110.498 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -64.05 -33.89 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.45 -47.88 78.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.41 -47.43 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.32 -27.36 67.27 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 123.564 0.54 . . . . 0.0 110.435 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -19.1 5.11 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.12 -22.74 2.67 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.624 0.25 . . . . 0.0 110.629 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.76 -22.73 3.82 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.5 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.79 -27.72 5.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.696 0.284 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.75 -30.93 15.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.513 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' C' ' 25' ' ' VAL . 0.5 OUTLIER -72.13 -32.88 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.007 0.432 . . . . 0.0 111.012 -179.215 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 26' ' ' PHE . 29.5 m -67.1 -44.23 88.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.501 0.667 . . . . 0.0 110.617 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 30' ' ' THR . 6.6 m-85 -71.31 -30.0 65.71 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.815 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -42.66 98.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.149 0.5 . . . . 0.0 109.871 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.25 -37.81 81.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.832 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.415 ' O ' HG22 ' B' ' 33' ' ' ILE . 55.2 t -61.89 -41.94 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 26' ' ' PHE . 16.9 p -60.89 -40.6 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.9 -16.16 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.758 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 -21.24 21.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.759 0.314 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.421 HG21 HD13 ' B' ' 33' ' ' ILE . 8.4 tt -93.41 -33.52 5.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.425 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.59 65.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.775 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.49 13.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.51 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.04 -38.24 64.98 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.361 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.503 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.05 134.76 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.77 -22.7 76.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -69.68 -12.65 61.8 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.159 -0.217 . . . . 0.0 110.796 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.13 -24.71 27.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp -67.95 -29.15 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.009 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.59 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.537 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.09 -33.95 76.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.811 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.34 -47.9 77.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.53 -47.35 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.34 -27.35 67.3 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.498 0.498 . . . . 0.0 110.466 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.16 5.09 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.93 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.05 -22.74 2.55 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.582 0.23 . . . . 0.0 110.662 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.76 -22.71 3.81 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.568 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 -27.77 5.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -30.95 15.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' D' ' 25' ' ' VAL . 0.5 OUTLIER -72.17 -32.92 44.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 0.0 111.032 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.471 HG23 ' N ' ' C' ' 26' ' ' PHE . 29.7 m -67.1 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.469 0.652 . . . . 0.0 110.623 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.584 ' O ' HG23 ' C' ' 30' ' ' THR . 6.7 m-85 -71.28 -30.07 65.83 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.828 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.62 98.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.26 -37.82 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.866 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.402 ' O ' HG22 ' C' ' 33' ' ' ILE . 55.3 t -61.94 -41.86 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.958 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' THR . . . . . 0.584 HG23 ' O ' ' C' ' 26' ' ' PHE . 16.9 p -60.94 -40.58 93.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 110.89 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.97 -16.06 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.57 -21.23 20.95 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.723 0.297 . . . . 0.0 110.471 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.402 HG22 ' O ' ' C' ' 29' ' ' VAL . 8.4 tt -93.37 -33.53 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.382 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.61 65.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.754 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.41 13.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.868 0.366 . . . . 0.0 110.702 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.65 1.68 40.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.31 -38.21 65.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.669 0.271 . . . . 0.0 110.326 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.548 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.08 134.7 22.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' GLY . . . . . 0.407 ' O ' HG22 ' D' ' 13' ' ' ILE . . . -69.71 -22.7 76.88 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 77.9 p -69.63 -12.7 61.85 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.731 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -24.69 27.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.748 0.309 . . . . 0.0 110.4 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.407 HG22 ' O ' ' D' ' 10' ' ' GLY . 9.4 tp -68.02 -28.97 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.969 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -52.98 -64.85 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.13 0.491 . . . . 0.0 110.535 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.49 -47.91 78.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.46 -47.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.39 -27.36 67.37 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.521 0.513 . . . . 0.0 110.383 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.38 -19.24 5.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.924 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.91 -22.88 2.45 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.642 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.71 -22.73 3.73 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.524 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.71 -28.11 5.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.653 0.263 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.23 -31.04 15.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.595 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.434 ' CG2' HG21 ' E' ' 25' ' ' VAL . 0.5 OUTLIER -72.22 -32.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 111.024 -179.097 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.479 HG23 ' N ' ' D' ' 26' ' ' PHE . 30.0 m -67.12 -44.07 88.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.47 0.652 . . . . 0.0 110.649 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.591 ' O ' HG23 ' D' ' 30' ' ' THR . 6.6 m-85 -71.35 -30.11 65.79 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.773 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -42.68 98.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.139 0.495 . . . . 0.0 109.866 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.24 -37.88 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.794 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.407 ' O ' HG22 ' D' ' 33' ' ' ILE . 55.1 t -61.92 -41.82 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' THR . . . . . 0.591 HG23 ' O ' ' D' ' 26' ' ' PHE . 17.1 p -61.03 -40.66 94.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.993 0.425 . . . . 0.0 110.859 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.61 -16.88 37.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.43 -22.46 21.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.733 0.301 . . . . 0.0 110.5 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.407 HG22 ' O ' ' D' ' 29' ' ' VAL . 8.5 tt -92.09 -33.87 5.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.496 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -18.71 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.05 -27.39 13.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.35 40.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.0 -38.17 64.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.648 0.261 . . . . 0.0 110.345 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.469 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.17 134.67 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.68 -22.77 76.86 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 79.8 p -69.54 -12.75 61.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.545 0.212 . . . . 0.0 110.818 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -24.62 27.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.416 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp -68.16 -28.74 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.48 -61.95 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -66.43 -33.65 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.013 0.435 . . . . 0.0 110.687 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.58 -47.81 78.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.51 -47.47 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.759 -0.376 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.22 -27.42 67.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.526 0.516 . . . . 0.0 110.437 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.37 -19.28 5.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.93 -22.8 2.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.672 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.7 -22.75 3.72 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.541 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.7 -29.19 7.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -31.95 16.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.428 ' CG2' HG21 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -71.97 -33.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -178.705 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 25' ' ' VAL . . . . . 0.485 HG23 ' N ' ' E' ' 26' ' ' PHE . 30.4 m -67.01 -44.22 88.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.444 0.64 . . . . 0.0 110.581 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 26' ' ' PHE . . . . . 0.585 ' O ' HG23 ' E' ' 30' ' ' THR . 6.7 m-85 -71.24 -30.15 65.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.813 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -42.65 98.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.868 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.28 -37.77 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.801 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' VAL . . . . . 0.41 ' O ' HG22 ' E' ' 33' ' ' ILE . 55.3 t -62.12 -41.62 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.974 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 30' ' ' THR . . . . . 0.585 HG23 ' O ' ' E' ' 26' ' ' PHE . 17.3 p -61.09 -40.88 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.942 0.401 . . . . 0.0 110.813 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 mt -84.67 -19.28 33.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.88 -25.81 24.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.994 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.41 HG22 ' O ' ' E' ' 29' ' ' VAL . 8.6 tt -88.18 -35.54 8.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.076 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -18.74 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -99.11 -27.23 13.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.94 -0.45 39.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt -52.87 -38.43 61.57 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 120.691 0.281 . . . . 0.0 110.513 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.518 179.838 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 51.5 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -17.77 65.16 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.547 ' O ' HG22 ' A' ' 14' ' ' VAL . 91.8 m -57.48 -32.22 66.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.559 0.218 . . . . 0.0 110.717 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -89.95 -17.96 26.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.538 HG22 HG23 ' A' ' 17' ' ' VAL . 33.3 mm -79.35 -13.42 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.858 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 11' ' ' THR . 35.2 m -55.13 -41.81 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.045 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' N ' HG23 ' A' ' 14' ' ' VAL . 80.2 m-20 -58.79 -59.62 5.14 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.408 0.623 . . . . 0.0 111.153 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.7 p -55.8 -36.77 67.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.504 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.538 HG23 HG22 ' A' ' 13' ' ' ILE . 24.7 t -62.25 -43.05 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -26.93 46.58 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.833 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.496 HD11 ' CE2' ' E' ' 20' ' ' PHE . 10.5 tp -52.56 -23.99 7.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.607 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -59.72 -12.27 6.76 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.453 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.94 -15.05 1.72 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.393 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -53.19 -29.22 30.68 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CE1' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -85.98 -19.75 29.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.696 HG22 HG11 ' B' ' 25' ' ' VAL . 0.3 OUTLIER -55.47 -28.87 23.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.47 0.652 . . . . 0.0 110.941 -179.402 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.684 HG11 HG22 ' E' ' 24' ' ' VAL . 13.9 m -84.04 -34.82 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.116 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.79 -27.09 66.44 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -81.05 -32.89 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 HG12 ' B' ' 25' ' ' VAL . 3.0 tt -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.686 0.755 . . . . 0.0 109.721 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.81 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.35 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.92 -47.23 52.39 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.242 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.68 -34.8 76.3 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.256 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.83 94.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.79 -16.17 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.22 -35.08 11.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 110.458 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.1 -27.78 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.487 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 16.92 9.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -45.46 -40.16 7.98 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.345 0.403 . . . . 0.0 110.488 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.465 179.708 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.57 51.63 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.0 -17.57 65.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.544 ' O ' HG22 ' B' ' 14' ' ' VAL . 91.0 m -57.63 -31.84 66.67 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 120.577 0.227 . . . . 0.0 110.738 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -90.45 -17.71 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.555 HG22 HG23 ' B' ' 17' ' ' VAL . 33.1 mm -79.65 -12.74 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.967 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 11' ' ' THR . 33.9 m -55.72 -41.8 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ASN . . . . . 0.504 ' HB2' HG21 ' A' ' 14' ' ' VAL . 80.0 m-20 -58.69 -60.05 4.44 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 111.128 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.41 -36.83 66.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.555 HG23 HG22 ' B' ' 13' ' ' ILE . 24.8 t -62.15 -43.09 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -26.85 46.77 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 20' ' ' PHE . 10.4 tp -52.76 -23.65 7.22 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.591 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' C' ' 19' ' ' LEU . 0.7 OUTLIER -60.15 -11.64 6.62 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.629 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.49 -14.64 2.12 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.421 ' O ' HG22 ' B' ' 25' ' ' VAL . . . -53.58 -29.03 35.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.492 ' CE1' HD23 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -86.02 -19.61 30.08 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.88 0.371 . . . . 0.0 110.419 179.383 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.675 HG22 HG11 ' C' ' 25' ' ' VAL . 0.3 OUTLIER -55.69 -28.76 24.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.467 0.651 . . . . 0.0 110.961 -179.316 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.696 HG11 HG22 ' A' ' 24' ' ' VAL . 13.8 m -84.11 -34.74 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.094 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.88 -27.16 66.43 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.492 HD23 ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -80.84 -33.0 34.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.299 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.427 HD12 HG12 ' C' ' 25' ' ' VAL . 3.0 tt -63.87 -46.42 85.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.723 0.773 . . . . 0.0 109.68 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.79 -34.63 71.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.399 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.82 -47.35 51.45 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.56 -34.79 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.395 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.74 94.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.222 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.67 -34.4 11.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -27.44 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 19.15 7.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 tp -47.53 -39.55 16.57 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.378 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.514 179.688 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.58 51.57 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.84 -17.74 65.53 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.538 ' O ' HG22 ' C' ' 14' ' ' VAL . 91.6 m -57.5 -31.94 66.53 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-O 120.552 0.215 . . . . 0.0 110.769 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -90.34 -17.61 27.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.545 HG22 HG23 ' C' ' 17' ' ' VAL . 33.4 mm -79.88 -12.57 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.829 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.538 HG22 ' O ' ' C' ' 11' ' ' THR . 36.0 m -55.79 -41.75 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ASN . . . . . 0.478 ' HB2' HG21 ' B' ' 14' ' ' VAL . 80.0 m-20 -58.69 -60.19 4.21 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.389 0.614 . . . . 0.0 111.048 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.34 -36.81 66.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.534 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.545 HG23 HG22 ' C' ' 13' ' ' ILE . 24.9 t -62.26 -42.95 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.472 ' HG ' HD12 ' D' ' 19' ' ' LEU . 0.1 OUTLIER -55.72 -26.95 47.88 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.759 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.478 HD11 ' CE2' ' B' ' 20' ' ' PHE . 10.4 tp -52.58 -23.91 7.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.565 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.484 ' CE2' HD11 ' D' ' 19' ' ' LEU . 0.7 OUTLIER -59.99 -11.73 6.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.703 179.357 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.45 -14.65 2.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.421 ' O ' HG22 ' C' ' 25' ' ' VAL . . . -53.48 -29.11 34.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.48 ' CE1' HD23 ' C' ' 27' ' ' LEU . 0.0 OUTLIER -86.0 -19.67 30.02 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.958 0.408 . . . . 0.0 110.441 179.452 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.666 HG22 HG11 ' D' ' 25' ' ' VAL . 0.3 OUTLIER -55.65 -28.73 23.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.424 0.63 . . . . 0.0 110.934 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.675 HG11 HG22 ' B' ' 24' ' ' VAL . 13.7 m -84.09 -34.9 10.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.113 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.8 -27.08 66.43 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' C' ' 23' ' ' PHE . 0.2 OUTLIER -80.97 -32.89 34.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.354 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.463 HD12 HG12 ' D' ' 25' ' ' VAL . 3.0 tt -63.89 -46.49 84.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.675 0.75 . . . . 0.0 109.73 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.78 -34.6 71.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.367 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.73 -47.45 50.65 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.294 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.51 -34.88 76.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.351 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.75 94.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.8 -34.31 12.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.428 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.99 -27.46 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.358 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 19.17 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.46 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 53.3 tp -47.42 -39.59 15.87 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 120.749 0.309 . . . . 0.0 110.378 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.506 179.715 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 51.55 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.67 -17.79 65.2 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' THR . . . . . 0.532 ' O ' HG22 ' D' ' 14' ' ' VAL . 91.1 m -57.49 -32.21 66.77 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.532 0.206 . . . . 0.0 110.71 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.86 -17.88 27.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.537 HG22 HG23 ' D' ' 17' ' ' VAL . 33.5 mm -79.45 -13.27 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.951 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.532 HG22 ' O ' ' D' ' 11' ' ' THR . 36.0 m -55.26 -41.68 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ASN . . . . . 0.469 ' N ' HG23 ' D' ' 14' ' ' VAL . 80.1 m-20 -58.89 -59.66 5.1 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 111.084 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 82.4 p -55.81 -36.69 67.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.558 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' VAL . . . . . 0.537 HG23 HG22 ' D' ' 13' ' ' ILE . 24.9 t -62.25 -43.01 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -26.86 48.34 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.814 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 19' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' C' ' 20' ' ' PHE . 10.7 tp -52.67 -23.95 7.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.471 ' CE2' HD11 ' E' ' 19' ' ' LEU . 0.7 OUTLIER -59.7 -12.25 6.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.702 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.83 -15.22 1.78 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.392 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ALA . . . . . 0.422 ' O ' HG22 ' D' ' 25' ' ' VAL . . . -53.09 -29.09 28.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.496 ' CE1' HD23 ' D' ' 27' ' ' LEU . 0.0 OUTLIER -86.08 -19.76 29.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.707 HG22 HG11 ' E' ' 25' ' ' VAL . 0.3 OUTLIER -55.46 -28.88 23.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.404 0.621 . . . . 0.0 110.888 -179.4 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.666 HG11 HG22 ' C' ' 24' ' ' VAL . 13.8 m -84.0 -34.83 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.089 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -67.79 -27.07 66.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' D' ' 23' ' ' PHE . 0.2 OUTLIER -81.04 -32.87 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.43 HD12 HG12 ' E' ' 25' ' ' VAL . 3.0 tt -63.93 -46.39 84.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.625 0.726 . . . . 0.0 109.703 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.88 -34.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.349 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m -49.85 -47.36 51.75 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.274 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.357 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.93 94.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.76 -16.05 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.36 -34.98 11.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.038 0.447 . . . . 0.0 110.493 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.13 -27.76 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.553 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.32 16.74 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp -45.36 -40.08 7.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 O-C-N 123.318 0.386 . . . . 0.0 110.548 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.442 179.677 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.55 51.53 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.648 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.55 -17.96 65.16 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 11' ' ' THR . . . . . 0.549 ' O ' HG22 ' E' ' 14' ' ' VAL . 91.6 m -57.14 -33.48 67.44 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-O 120.531 0.205 . . . . 0.0 110.609 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.03 -18.88 28.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.401 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 13' ' ' ILE . . . . . 0.558 HG22 HG23 ' E' ' 17' ' ' VAL . 32.6 mm -77.83 -16.03 14.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 14' ' ' VAL . . . . . 0.549 HG22 ' O ' ' E' ' 11' ' ' THR . 35.5 m -53.6 -41.74 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.211 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 15' ' ' ASN . . . . . 0.477 ' N ' HG23 ' E' ' 14' ' ' VAL . 80.1 m-20 -59.65 -57.93 10.79 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.35 -179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -56.93 -36.61 70.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.558 HG23 HG22 ' E' ' 13' ' ' ILE . 24.8 t -62.27 -43.11 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 18' ' ' LEU . . . . . 0.451 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.57 -27.09 47.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.751 179.659 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 19' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' D' ' 20' ' ' PHE . 10.5 tp -52.44 -24.25 7.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CE2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -58.12 -15.09 8.29 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.582 179.141 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp -51.93 -17.66 1.07 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' ALA . . . . . 0.407 ' O ' HG22 ' E' ' 25' ' ' VAL . . . -51.87 -29.32 19.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 23' ' ' PHE . . . . . 0.491 ' CE1' HD23 ' E' ' 27' ' ' LEU . 0.0 OUTLIER -85.86 -20.19 29.47 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.973 0.416 . . . . 0.0 110.484 179.431 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.684 HG22 HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -55.04 -29.04 21.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 110.959 -179.506 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 25' ' ' VAL . . . . . 0.707 HG11 HG22 ' D' ' 24' ' ' VAL . 13.8 m -83.97 -34.83 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.103 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.8 -27.19 66.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 27' ' ' LEU . . . . . 0.491 HD23 ' CE1' ' E' ' 23' ' ' PHE . 0.2 OUTLIER -80.95 -32.84 34.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.394 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.45 HD12 HG12 ' A' ' 25' ' ' VAL . 3.0 tt -64.02 -46.34 84.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.599 0.714 . . . . 0.0 109.712 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.81 -34.65 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.321 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 11.6 m -49.76 -47.35 50.96 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.67 -34.78 76.26 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.301 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.92 94.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 pt -80.64 -18.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -37.7 8.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 110.353 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.02 -29.49 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.572 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.66 7.1 27.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.651 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp -39.19 -41.26 0.83 Allowed 'General case' 0 CA--C 1.52 -0.186 0 O-C-N 123.49 0.494 . . . . 0.0 111.127 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.444 179.515 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.56 -1.95 54.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.71 -18.46 77.36 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -49.0 -30.19 5.77 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.812 0.339 . . . . 0.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.85 -42.55 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.425 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -19.24 18.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.749 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.1 -28.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.01 -52.39 63.29 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.56 . . . . 0.0 110.722 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.76 -41.3 92.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.66 -22.4 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.011 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' C ' HD13 ' A' ' 18' ' ' LEU . 3.0 tm? -72.02 -43.89 64.29 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.658 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -54.81 -18.98 5.47 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.647 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.36 1.41 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.071 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.63 -22.77 0.83 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.944 -0.117 . . . . 0.0 110.967 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.08 71.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.692 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -33.79 65.91 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 110.164 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.644 HG13 HG11 ' B' ' 25' ' ' VAL . 0.4 OUTLIER -79.19 -31.89 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.377 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.666 HG11 HG13 ' E' ' 24' ' ' VAL . 99.2 t -57.91 -49.71 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.543 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 30' ' ' THR . 2.6 m-85 -71.09 -44.07 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.083 0.468 . . . . 0.0 111.09 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.91 69.72 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.355 0.598 . . . . 0.0 111.109 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.542 ' HG ' HG12 ' B' ' 25' ' ' VAL . 2.4 mm? -75.09 -44.86 44.96 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.766 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.473 ' HB ' HD12 ' E' ' 28' ' ' LEU . 0.3 OUTLIER -55.21 -24.42 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.241 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 26' ' ' PHE . 20.2 p -57.2 -45.92 83.35 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.8 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.74 -40.76 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.219 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.94 55.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.401 HD11 HD12 ' E' ' 31' ' ' LEU . 0.4 OUTLIER -71.48 -30.38 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.667 -179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -25.65 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.295 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.2 p -92.33 -27.64 17.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.902 0.382 . . . . 0.0 110.311 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.7 5.23 29.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.07 -29.57 3.68 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 110.668 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.441 179.727 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -1.91 54.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.072 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.76 -18.43 77.41 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -49.03 -30.0 5.64 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.862 0.363 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -42.51 11.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.348 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -19.37 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.56 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.92 -28.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.151 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -55.08 -52.35 63.5 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.226 0.536 . . . . 0.0 110.693 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.79 -41.27 92.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.625 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.64 -22.42 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.039 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.436 HD13 ' C ' ' B' ' 18' ' ' LEU . 3.0 tm? -72.07 -43.89 64.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.639 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -54.66 -19.04 5.29 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -23.55 1.43 Allowed 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.019 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.45 -22.87 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.933 -0.121 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.05 71.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.647 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -33.84 65.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.655 HG13 HG11 ' C' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.89 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 -179.305 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.644 HG11 HG13 ' A' ' 24' ' ' VAL . 99.1 t -57.98 -49.75 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.471 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 30' ' ' THR . 2.6 m-85 -71.06 -44.07 66.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 0.0 111.127 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.82 69.58 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.398 0.618 . . . . 0.0 111.202 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.54 ' HG ' HG12 ' C' ' 25' ' ' VAL . 2.4 mm? -75.15 -44.92 44.13 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.761 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -55.26 -24.3 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 119.506 -0.878 . . . . 0.0 110.272 -179.428 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 26' ' ' PHE . 20.3 p -57.33 -45.77 83.94 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.818 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.72 -40.77 89.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.55 55.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -30.37 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.617 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -25.61 4.64 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.277 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -92.47 -27.47 17.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.911 0.386 . . . . 0.0 110.179 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.04 6.15 26.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.84 -29.49 4.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.848 0.356 . . . . 0.0 110.529 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.484 179.722 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.59 -1.97 55.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.049 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.73 -18.48 77.39 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -48.89 -30.07 5.44 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.814 0.34 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -42.47 11.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.346 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -19.27 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.03 -28.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.124 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.02 -52.31 63.55 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.2 0.524 . . . . 0.0 110.734 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.83 -41.3 91.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.72 -22.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.051 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.43 ' C ' HD13 ' C' ' 18' ' ' LEU . 3.0 tm? -72.13 -43.88 64.01 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.689 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.467 HD12 ' O ' ' C' ' 19' ' ' LEU . 0.7 OUTLIER -54.68 -19.02 5.3 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.61 179.748 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -23.45 1.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.075 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.58 -22.82 0.82 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.002 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.21 -39.15 72.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.603 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -33.92 65.65 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.936 0.398 . . . . 0.0 110.182 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.648 HG13 HG11 ' D' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.92 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.655 HG11 HG13 ' B' ' 24' ' ' VAL . 99.3 t -57.86 -49.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.54 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.444 ' O ' HG23 ' C' ' 30' ' ' THR . 2.6 m-85 -71.06 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 111.128 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.97 69.77 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.336 0.589 . . . . 0.0 111.122 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.533 ' HG ' HG12 ' D' ' 25' ' ' VAL . 2.4 mm? -75.09 -44.87 44.95 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.824 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' B' ' 28' ' ' LEU . 0.3 OUTLIER -55.1 -24.52 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.262 -179.506 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 30' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 26' ' ' PHE . 20.1 p -57.15 -45.92 83.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.856 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.7 -40.76 88.97 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.58 55.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -30.32 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.731 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -25.68 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.285 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 22.5 p -92.36 -27.48 17.51 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.09 6.16 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.9 -29.46 4.75 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.783 0.325 . . . . 0.0 110.527 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.5 179.737 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.58 -1.93 54.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.054 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.83 -18.43 77.49 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -48.98 -30.12 5.64 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.559 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.87 -42.68 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.318 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.35 -19.23 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.742 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.41 HG11 ' CB ' ' E' ' 15' ' ' ASN . 8.7 p -48.13 -28.9 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -55.11 -52.29 63.71 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.18 0.514 . . . . 0.0 110.692 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -65.79 -41.41 91.98 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.64 -22.41 23.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.974 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.425 ' C ' HD13 ' D' ' 18' ' ' LEU . 3.0 tm? -71.94 -43.97 64.37 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.716 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 19' ' ' LEU . . . . . 0.468 ' O ' HD12 ' D' ' 19' ' ' LEU . 0.7 OUTLIER -54.68 -19.05 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.623 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -23.56 1.39 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.034 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.52 -22.88 0.81 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.879 -0.146 . . . . 0.0 110.964 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.13 71.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.669 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -33.83 65.78 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 110.205 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.638 HG13 HG11 ' E' ' 25' ' ' VAL . 0.4 OUTLIER -79.19 -31.95 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 -179.294 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.648 HG11 HG13 ' C' ' 24' ' ' VAL . 99.2 t -57.85 -49.76 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.495 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.45 ' O ' HG23 ' D' ' 30' ' ' THR . 2.6 m-85 -71.12 -43.97 66.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.039 0.447 . . . . 0.0 111.109 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -31.96 69.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.329 0.585 . . . . 0.0 111.099 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.53 ' HG ' HG12 ' E' ' 25' ' ' VAL . 2.4 mm? -75.08 -44.91 44.76 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.761 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' C' ' 28' ' ' LEU . 0.3 OUTLIER -55.18 -24.45 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.251 -179.432 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 30' ' ' THR . . . . . 0.45 HG23 ' O ' ' D' ' 26' ' ' PHE . 20.1 p -57.23 -45.84 83.51 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.854 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.78 -40.68 89.08 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.21 -18.88 54.87 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -30.32 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -25.63 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.29 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -27.67 17.35 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.882 0.372 . . . . 0.0 110.194 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 5.21 29.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.988 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.04 -29.58 3.64 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 120.717 0.294 . . . . 0.0 110.606 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.435 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.65 -2.0 55.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.76 -18.49 77.45 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -48.86 -30.75 6.18 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-O 120.885 0.374 . . . . 0.0 110.554 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.89 -43.08 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.491 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -19.08 17.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.41 -28.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.054 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' ASN . . . . . 0.41 ' CB ' HG11 ' D' ' 14' ' ' VAL . 58.4 m-80 -55.04 -52.36 63.41 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.226 0.536 . . . . 0.0 110.738 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.77 -41.35 92.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.72 -22.4 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.948 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 18' ' ' LEU . . . . . 0.42 HD13 ' C ' ' E' ' 18' ' ' LEU . 3.0 tm? -71.98 -43.86 64.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.72 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 19' ' ' LEU . . . . . 0.467 ' O ' HD12 ' E' ' 19' ' ' LEU . 0.7 OUTLIER -54.71 -19.05 5.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.676 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.38 1.41 Allowed 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.028 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.67 -22.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.877 -0.147 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.18 -39.2 72.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.88 65.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.143 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.666 HG13 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.94 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.231 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 25' ' ' VAL . . . . . 0.638 HG11 HG13 ' D' ' 24' ' ' VAL . 98.9 t -57.96 -49.73 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.467 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 26' ' ' PHE . . . . . 0.443 ' O ' HG23 ' E' ' 30' ' ' THR . 2.6 m-85 -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.047 0.451 . . . . 0.0 111.055 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.93 69.68 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.393 0.616 . . . . 0.0 111.215 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.536 ' HG ' HG12 ' A' ' 25' ' ' VAL . 2.4 mm? -75.15 -44.83 44.68 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.797 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 29' ' ' VAL . . . . . 0.474 ' HB ' HD12 ' D' ' 28' ' ' LEU . 0.3 OUTLIER -55.23 -24.35 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.215 -179.488 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 30' ' ' THR . . . . . 0.443 HG23 ' O ' ' E' ' 26' ' ' PHE . 20.2 p -57.22 -45.93 83.39 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.831 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 31' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 33' ' ' ILE . 3.5 mm? -59.65 -40.81 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.27 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.61 -20.06 54.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.53 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.838 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.64 -25.67 4.5 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.366 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 22.6 p -92.42 -27.68 17.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.41 . . . . 0.0 110.295 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 1.63 39.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.078 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -46.03 -29.76 1.59 Allowed 'General case' 0 C--N 1.338 0.092 0 CA-C-O 120.683 0.277 . . . . 0.0 110.875 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.385 179.659 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.4 m -75.07 -40.86 59.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.61 -21.31 54.47 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.543 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.7 m -55.73 -19.18 10.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.031 -0.267 . . . . 0.0 110.798 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.38 -28.37 18.72 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.784 0.326 . . . . 0.0 110.664 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mp -71.2 -24.81 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 11' ' ' THR . 26.2 m -49.45 -27.97 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -62.68 -57.74 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.321 0.582 . . . . 0.0 110.652 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.76 -27.93 69.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 13' ' ' ILE . 65.2 t -63.86 -42.32 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -71.01 -24.5 62.38 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.415 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' E' ' 18' ' ' LEU . 5.5 tt -51.42 -26.02 7.27 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.022 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' HD1' ' N ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.16 -9.19 4.36 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' N ' ' HD1' ' A' ' 20' ' ' PHE . 21.1 tp -53.15 -26.57 17.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 111.631 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.34 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.548 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.08 71.32 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.518 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -73.91 -18.89 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -178.157 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' C ' HD21 ' E' ' 28' ' ' LEU . 0.2 OUTLIER -82.48 -56.48 5.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.304 -179.424 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -43.44 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.504 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.39 98.24 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.289 0.566 . . . . 0.0 110.498 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 24' ' ' VAL . 4.9 mp -63.53 -48.1 78.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' HB3' ' E' ' 28' ' ' LEU . 0.6 OUTLIER -61.39 -31.56 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.473 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.11 79.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.18 -25.66 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.402 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.51 -23.05 27.89 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.749 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.64 -27.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.455 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.17 -31.34 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.43 HG21 ' HB1' ' B' ' 36' ' ' ALA . 5.3 t -98.77 -25.39 14.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.204 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB1' HG21 ' E' ' 35' ' ' THR . . . -62.76 -30.53 71.51 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.33 -163.99 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.626 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.117 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.1 m -75.07 -40.87 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.57 -21.33 54.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.538 ' O ' HG22 ' B' ' 14' ' ' VAL . 4.8 m -55.93 -18.81 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.788 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.79 -28.2 18.39 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.818 0.342 . . . . 0.0 110.654 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 17' ' ' VAL . 1.3 mp -71.3 -24.76 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.538 HG22 ' O ' ' B' ' 11' ' ' THR . 26.8 m -49.5 -27.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.64 -57.88 9.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.344 0.592 . . . . 0.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -27.9 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.302 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 13' ' ' ILE . 65.1 t -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.507 ' O ' HD12 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -70.98 -24.53 62.41 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.404 HD12 ' CB ' ' A' ' 18' ' ' LEU . 5.5 tt -51.38 -26.11 7.27 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.43 ' HD1' ' N ' ' B' ' 21' ' ' LEU . 0.1 OUTLIER -61.29 -8.82 4.16 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.43 ' N ' ' HD1' ' B' ' 20' ' ' PHE . 21.3 tp -53.55 -26.22 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.547 0.213 . . . . 0.0 111.547 -177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -26.39 61.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.574 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -36.09 71.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.532 ' O ' HD13 ' B' ' 28' ' ' LEU . 0.4 OUTLIER -74.04 -18.6 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -178.133 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.461 ' C ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -82.63 -56.4 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.304 -179.436 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.421 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.05 -43.38 95.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.481 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.13 -41.46 98.27 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.329 0.585 . . . . 0.0 110.476 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.532 HD13 ' O ' ' B' ' 24' ' ' VAL . 4.9 mp -63.52 -48.01 79.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.976 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.429 HG21 ' HB3' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -61.48 -31.5 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.482 179.468 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -42.14 79.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.737 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.31 -25.48 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.89 -22.02 27.7 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.62 -27.0 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.387 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -47.41 -31.17 3.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.423 HG21 ' HB1' ' C' ' 36' ' ' ALA . 5.3 t -98.94 -25.38 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.43 ' HB1' HG21 ' A' ' 35' ' ' THR . . . -62.77 -30.5 71.5 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.657 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.28 -163.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.588 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.961 -1.018 . . . . 0.0 111.209 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 36.3 m -75.1 -40.88 59.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.62 -21.26 54.4 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.532 ' O ' HG22 ' C' ' 14' ' ' VAL . 4.7 m -55.88 -18.8 9.74 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.81 -0.23 . . . . 0.0 110.825 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.83 -28.21 18.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.825 0.345 . . . . 0.0 110.671 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.412 ' O ' HG23 ' C' ' 17' ' ' VAL . 1.3 mp -71.32 -24.69 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.532 HG22 ' O ' ' C' ' 11' ' ' THR . 27.0 m -49.54 -27.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.63 -57.85 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 0.0 110.628 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -63.65 -27.95 69.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.412 HG23 ' O ' ' C' ' 13' ' ' ILE . 66.5 t -63.86 -42.29 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.495 HD12 ' O ' ' C' ' 18' ' ' LEU . 0.3 OUTLIER -70.95 -24.59 62.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.314 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' B' ' 18' ' ' LEU . 5.5 tt -51.46 -25.98 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.092 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.423 ' HD1' ' N ' ' C' ' 21' ' ' LEU . 0.1 OUTLIER -61.31 -8.82 4.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.423 ' N ' ' HD1' ' C' ' 20' ' ' PHE . 21.3 tp -53.49 -26.39 20.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.573 0.225 . . . . 0.0 111.557 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.32 60.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.546 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -36.14 71.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.532 ' O ' HD13 ' C' ' 28' ' ' LEU . 0.4 OUTLIER -74.03 -18.59 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.886 0.374 . . . . 0.0 110.969 -178.13 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.454 ' C ' HD21 ' B' ' 28' ' ' LEU . 0.2 OUTLIER -82.64 -56.43 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.299 -179.426 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.413 ' HA ' HD21 ' B' ' 28' ' ' LEU . 0.1 OUTLIER -59.89 -43.49 94.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.565 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.08 -41.45 98.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.39 0.614 . . . . 0.0 110.537 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.532 HD13 ' O ' ' C' ' 24' ' ' VAL . 4.9 mp -63.58 -48.02 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -61.39 -31.58 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.515 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -42.06 79.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.727 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.34 -25.46 59.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.353 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.95 -22.08 27.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.59 -27.05 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.37 -31.19 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.456 HG21 ' HB1' ' D' ' 36' ' ' ALA . 5.3 t -98.89 -25.37 14.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.173 179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' B' ' 35' ' ' THR . . . -62.78 -30.44 71.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.636 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.16 -163.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.692 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.174 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 36.4 m -75.05 -40.96 59.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.57 -21.39 54.51 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' THR . . . . . 0.532 ' O ' HG22 ' D' ' 14' ' ' VAL . 4.7 m -55.68 -19.18 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.83 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -90.39 -28.31 18.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.78 0.324 . . . . 0.0 110.719 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.41 ' O ' HG23 ' D' ' 17' ' ' VAL . 1.3 mp -71.22 -24.77 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.532 HG22 ' O ' ' D' ' 11' ' ' THR . 26.2 m -49.45 -27.98 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -62.72 -57.77 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.323 0.582 . . . . 0.0 110.627 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -63.78 -27.85 69.47 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' D' ' 13' ' ' ILE . 65.1 t -63.87 -42.26 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.499 ' O ' HD12 ' D' ' 18' ' ' LEU . 0.3 OUTLIER -71.03 -24.57 62.39 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.348 179.67 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.36 -26.03 7.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.432 ' HD1' ' N ' ' D' ' 21' ' ' LEU . 0.1 OUTLIER -61.19 -9.13 4.33 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.872 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.432 ' N ' ' HD1' ' D' ' 20' ' ' PHE . 21.2 tp -53.14 -26.58 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.612 0.244 . . . . 0.0 111.61 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.29 -26.35 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.555 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -36.16 71.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.226 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.531 ' O ' HD13 ' D' ' 28' ' ' LEU . 0.4 OUTLIER -73.88 -18.88 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 -178.147 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.451 ' C ' HD21 ' C' ' 28' ' ' LEU . 0.2 OUTLIER -82.45 -56.41 6.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.341 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.434 ' HA ' HD21 ' C' ' 28' ' ' LEU . 0.1 OUTLIER -60.06 -43.35 95.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.477 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.21 -41.44 98.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.286 0.565 . . . . 0.0 110.432 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.531 HD13 ' O ' ' D' ' 24' ' ' VAL . 4.9 mp -63.53 -48.1 78.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.446 HG21 ' HB3' ' C' ' 28' ' ' LEU . 0.6 OUTLIER -61.29 -31.62 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.49 179.491 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.1 79.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.695 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.17 -25.85 59.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.38 -23.07 28.13 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.799 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.5 -27.31 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.497 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.23 -31.23 3.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' THR . . . . . 0.401 HG21 ' HB1' ' E' ' 36' ' ' ALA . 5.2 t -98.83 -25.42 14.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.152 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 36' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' C' ' 35' ' ' THR . . . -62.8 -30.5 71.52 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.624 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.25 -163.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.638 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.196 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 37.4 m -75.16 -40.85 59.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.752 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -21.31 54.73 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 11' ' ' THR . . . . . 0.552 ' O ' HG22 ' E' ' 14' ' ' VAL . 4.8 m -55.57 -20.04 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.72 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mp -88.76 -29.21 19.96 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.979 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 13' ' ' ILE . . . . . 0.411 ' O ' HG23 ' E' ' 17' ' ' VAL . 1.3 mp -70.94 -24.79 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.917 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 14' ' ' VAL . . . . . 0.552 HG22 ' O ' ' E' ' 11' ' ' THR . 26.3 m -49.46 -27.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -62.79 -57.52 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.569 . . . . 0.0 110.661 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -63.83 -27.92 69.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.411 HG23 ' O ' ' E' ' 13' ' ' ILE . 66.0 t -63.8 -42.39 95.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 18' ' ' LEU . . . . . 0.506 ' O ' HD12 ' E' ' 18' ' ' LEU . 0.3 OUTLIER -70.99 -24.59 62.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.354 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 19' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' D' ' 18' ' ' LEU . 5.5 tt -51.33 -26.26 7.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.206 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.418 ' HD1' ' N ' ' E' ' 21' ' ' LEU . 0.1 OUTLIER -58.97 -12.92 5.15 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.363 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 21' ' ' LEU . . . . . 0.418 ' N ' ' HD1' ' E' ' 20' ' ' PHE . 20.9 tp -51.28 -26.57 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -176.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.5 -26.24 61.0 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.519 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -36.24 71.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.533 ' O ' HD13 ' E' ' 28' ' ' LEU . 0.4 OUTLIER -73.52 -19.68 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.82 0.343 . . . . 0.0 110.783 -178.169 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 25' ' ' VAL . . . . . 0.441 ' C ' HD21 ' D' ' 28' ' ' LEU . 0.2 OUTLIER -82.05 -56.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.372 -179.248 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 26' ' ' PHE . . . . . 0.426 ' HA ' HD21 ' D' ' 28' ' ' LEU . 0.1 OUTLIER -60.05 -43.4 95.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.527 -179.708 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.4 98.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.301 0.572 . . . . 0.0 110.458 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.533 HD13 ' O ' ' E' ' 24' ' ' VAL . 5.0 mp -63.62 -47.91 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 29' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' D' ' 28' ' ' LEU . 0.6 OUTLIER -61.48 -31.47 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 119.874 -0.731 . . . . 0.0 109.386 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -42.06 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.756 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.21 -26.13 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.28 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.17 -26.06 29.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.19 -29.11 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.217 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -46.72 -31.36 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 35' ' ' THR . . . . . 0.425 HG21 ' HB1' ' A' ' 36' ' ' ALA . 5.3 t -98.85 -25.37 14.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.151 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 36' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' D' ' 35' ' ' THR . . . -62.77 -30.55 71.54 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.29 -163.91 0.22 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.606 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.123 -179.864 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 49.98 27.75 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.608 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -61.61 -41.52 99.59 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.1 -28.26 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.74 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.07 -49.02 79.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.13 -31.06 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.741 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 10' ' ' GLY . 5.4 t -55.56 -42.85 70.36 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.4 -57.87 10.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 111.424 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.543 ' OG ' HG21 ' E' ' 14' ' ' VAL . 66.9 m -58.62 -34.13 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.092 0.472 . . . . 0.0 109.911 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.64 -21.84 14.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.71 -42.54 86.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.282 0.563 . . . . 0.0 110.612 -179.268 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.59 -14.35 29.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.707 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -17.31 40.18 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.83 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 18' ' ' LEU . 2.8 pp -70.65 -8.13 49.58 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.771 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' E' ' 21' ' ' LEU . . . -82.24 -16.52 49.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.014 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -35.75 65.27 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.25 0.548 . . . . 0.0 110.547 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.481 HG13 HG11 ' B' ' 25' ' ' VAL . 5.9 p -72.59 -25.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.301 0.572 . . . . 0.0 111.133 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG11 HG13 ' E' ' 24' ' ' VAL . 6.4 t -62.01 -54.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.422 0.629 . . . . 0.0 110.613 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -29.84 70.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.88 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -32.3 69.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.164 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD22 HD11 ' E' ' 28' ' ' LEU . 3.3 tt -72.69 -36.49 67.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.988 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.508 ' CG1' HD22 ' E' ' 31' ' ' LEU . 53.3 t -57.07 -50.49 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.59 -43.89 95.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.959 HD23 HD13 ' B' ' 33' ' ' ILE . 2.4 mp -66.36 -27.83 68.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.799 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.58 27.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.931 HD13 HD23 ' E' ' 31' ' ' LEU . 1.8 tp -62.64 -23.28 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.09 -43.18 30.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.838 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.76 -30.02 7.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.865 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.26 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -49.2 -29.09 5.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.371 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.516 179.617 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 50.01 27.71 2.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.603 ' O ' HG23 ' B' ' 14' ' ' VAL . . . -61.53 -41.59 99.59 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.04 -28.17 35.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.783 0.325 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.1 -49.12 78.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.679 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.13 -30.98 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 10' ' ' GLY . 5.3 t -55.57 -43.04 71.22 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.13 -58.43 8.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.17 0.509 . . . . 0.0 111.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.549 ' OG ' HG21 ' A' ' 14' ' ' VAL . 66.1 m -58.06 -34.27 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.071 0.462 . . . . 0.0 110.031 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.57 -21.89 14.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.608 ' O ' HD23 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -66.84 -42.35 85.93 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.549 -179.212 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.79 -14.01 28.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.652 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -16.85 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.749 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.608 HD23 ' O ' ' B' ' 18' ' ' LEU . 2.8 pp -71.28 -6.82 42.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.727 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.576 ' HB2' ' CB ' ' A' ' 21' ' ' LEU . . . -83.4 -16.38 46.11 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.962 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -35.7 65.01 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.213 0.53 . . . . 0.0 110.567 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.472 HG13 HG11 ' C' ' 25' ' ' VAL . 6.2 p -72.48 -25.57 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.336 0.588 . . . . 0.0 111.176 -178.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.481 HG11 HG13 ' A' ' 24' ' ' VAL . 6.3 t -62.01 -54.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.369 0.604 . . . . 0.0 110.569 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.93 70.83 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.865 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.86 -32.33 69.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.16 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.541 HD11 HD22 ' C' ' 28' ' ' LEU . 3.3 tt -72.7 -36.52 67.85 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.936 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.522 ' CG1' HD22 ' A' ' 31' ' ' LEU . 53.2 t -57.05 -50.5 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.55 -43.98 95.49 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.301 0.572 . . . . 0.0 110.583 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.956 HD23 HD13 ' C' ' 33' ' ' ILE . 2.4 mp -66.4 -27.82 68.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.53 -35.51 27.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.959 HD13 HD23 ' A' ' 31' ' ' LEU . 1.8 tp -62.65 -23.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.949 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 tt -48.09 -42.74 29.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -113.44 -29.84 7.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.35 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -48.95 -29.29 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.393 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.465 179.672 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 50.01 27.76 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.505 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLY . . . . . 0.614 ' O ' HG23 ' C' ' 14' ' ' VAL . . . -61.59 -41.49 99.58 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.09 -28.21 35.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.802 0.334 . . . . 0.0 110.802 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.16 -49.05 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.71 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.13 -31.03 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.614 HG23 ' O ' ' C' ' 10' ' ' GLY . 5.4 t -55.55 -42.88 70.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.27 -58.36 8.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 111.39 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' SER . . . . . 0.508 ' OG ' HG21 ' B' ' 14' ' ' VAL . 66.7 m -58.18 -34.17 70.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.047 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.52 -21.97 14.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.603 ' O ' HD23 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -66.79 -42.44 85.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.599 -179.183 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.77 -13.91 27.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.704 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -16.85 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.735 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.603 HD23 ' O ' ' C' ' 18' ' ' LEU . 2.8 pp -71.29 -6.84 42.88 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.715 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.581 ' HB2' ' CB ' ' B' ' 21' ' ' LEU . . . -83.44 -16.37 46.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.968 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -35.73 65.19 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.281 0.562 . . . . 0.0 110.571 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.454 HG13 HG11 ' D' ' 25' ' ' VAL . 6.2 p -72.52 -25.53 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.576 . . . . 0.0 111.171 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.472 HG11 HG13 ' B' ' 24' ' ' VAL . 6.1 t -62.03 -54.62 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.602 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -29.94 70.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -32.4 69.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.121 -0.631 . . . . 0.0 110.185 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.541 HD22 HD11 ' B' ' 28' ' ' LEU . 3.3 tt -72.77 -36.4 67.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.514 ' CG1' HD22 ' B' ' 31' ' ' LEU . 53.4 t -57.11 -50.57 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.39 -43.92 96.17 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.69 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' LEU . . . . . 0.945 HD23 HD13 ' D' ' 33' ' ' ILE . 2.4 mp -66.42 -27.85 68.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.792 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.52 -35.52 27.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.956 HD13 HD23 ' B' ' 31' ' ' LEU . 1.8 tp -62.73 -23.35 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.87 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.03 -42.75 29.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -113.49 -29.81 7.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -61.37 -35.52 77.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.736 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp -48.88 -29.24 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.471 179.627 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 49.95 27.76 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.554 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' GLY . . . . . 0.603 ' O ' HG23 ' D' ' 14' ' ' VAL . . . -61.45 -41.57 99.57 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 11.1 t -81.17 -28.23 35.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.0 -49.1 78.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 tt -71.15 -30.98 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.603 HG23 ' O ' ' D' ' 10' ' ' GLY . 5.5 t -55.59 -42.9 70.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.37 -57.92 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.109 0.481 . . . . 0.0 111.374 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' SER . . . . . 0.542 ' OG ' HG21 ' C' ' 14' ' ' VAL . 67.4 m -58.6 -34.11 70.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.54 -21.98 14.11 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.587 ' O ' HD23 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -66.62 -42.63 86.52 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.612 -179.233 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.57 -14.33 29.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.687 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -17.25 39.56 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.836 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.589 ' CB ' ' HB2' ' E' ' 22' ' ' ALA . 2.8 pp -70.74 -8.07 49.5 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.709 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ALA . . . . . 0.575 ' HB2' ' CB ' ' C' ' 21' ' ' LEU . . . -82.2 -16.57 49.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.097 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -35.73 65.2 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.221 0.534 . . . . 0.0 110.585 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.481 HG13 HG11 ' E' ' 25' ' ' VAL . 6.1 p -72.47 -25.49 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.306 0.574 . . . . 0.0 111.169 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.454 HG11 HG13 ' C' ' 24' ' ' VAL . 6.2 t -62.05 -54.55 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.299 0.571 . . . . 0.0 110.632 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.91 70.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.25 69.4 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.154 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.54 HD11 HD22 ' E' ' 28' ' ' LEU . 3.2 tt -72.71 -36.48 67.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.978 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.518 ' CG1' HD22 ' C' ' 31' ' ' LEU . 53.3 t -57.16 -50.37 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.978 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.53 -43.95 95.66 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.239 0.542 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.971 HD23 HD13 ' E' ' 33' ' ' ILE . 2.5 mp -66.35 -27.88 68.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.45 -35.65 27.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.945 HD13 HD23 ' C' ' 31' ' ' LEU . 1.8 tp -62.58 -23.28 32.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.01 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.07 -43.26 30.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -112.88 -30.01 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.831 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -61.24 -35.28 76.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.796 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -49.12 -29.2 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.467 179.661 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 49.87 27.83 2.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 10' ' ' GLY . . . . . 0.615 ' O ' HG23 ' E' ' 14' ' ' VAL . . . -61.55 -41.53 99.58 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.13 -28.22 35.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.769 0.318 . . . . 0.0 110.778 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.1 -49.05 78.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.772 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.18 -30.94 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.755 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 14' ' ' VAL . . . . . 0.615 HG23 ' O ' ' E' ' 10' ' ' GLY . 5.6 t -55.54 -42.94 70.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.971 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.71 -57.19 13.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.146 0.498 . . . . 0.0 111.502 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 16' ' ' SER . . . . . 0.552 ' OG ' HG21 ' D' ' 14' ' ' VAL . 67.5 m -58.97 -34.17 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.51 -22.0 14.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 18' ' ' LEU . . . . . 0.596 ' O ' HD23 ' E' ' 21' ' ' LEU . 0.2 OUTLIER -66.64 -42.66 86.36 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.586 -179.219 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -60.85 -15.8 34.31 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.638 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -18.37 32.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.592 0.234 . . . . 0.0 111.018 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 21' ' ' LEU . . . . . 0.596 HD23 ' O ' ' E' ' 18' ' ' LEU . 2.7 pp -67.02 -14.32 62.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.549 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 22' ' ' ALA . . . . . 0.589 ' HB2' ' CB ' ' D' ' 21' ' ' LEU . . . -78.65 -16.75 56.95 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.331 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -35.78 65.5 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.254 0.55 . . . . 0.0 110.639 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.486 HG12 ' O ' ' E' ' 21' ' ' LEU . 5.8 p -72.53 -25.48 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.278 0.561 . . . . 0.0 111.131 -178.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 25' ' ' VAL . . . . . 0.481 HG11 HG13 ' D' ' 24' ' ' VAL . 6.1 t -62.01 -54.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.611 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -29.83 70.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.875 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -32.28 69.4 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.16 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.54 HD22 HD11 ' D' ' 28' ' ' LEU . 3.3 tt -72.78 -36.35 67.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.01 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 29' ' ' VAL . . . . . 0.519 ' CG1' HD22 ' D' ' 31' ' ' LEU . 53.6 t -57.27 -50.38 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.912 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.52 -43.91 95.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.625 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 31' ' ' LEU . . . . . 0.931 HD23 HD13 ' A' ' 33' ' ' ILE . 2.4 mp -66.45 -27.86 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.761 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.49 27.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.971 HD13 HD23 ' D' ' 31' ' ' LEU . 1.8 tp -62.71 -23.26 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.989 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -47.91 -44.55 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.719 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 5.6 t -110.7 -30.85 7.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.237 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 36' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -61.02 -35.3 76.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 -178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp -49.02 -29.31 4.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.405 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.222 -0.395 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.517 179.665 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -109.83 -25.6 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.51 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.85 -30.73 74.58 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.435 ' O ' HG12 ' A' ' 14' ' ' VAL . 14.1 t -65.85 -11.75 49.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.19 -36.46 15.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.85 0.357 . . . . 0.0 110.393 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.407 HG22 HG23 ' A' ' 17' ' ' VAL . 11.0 mm -93.69 -16.45 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 11' ' ' THR . 12.6 p -49.57 -36.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 0.0 110.933 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -55.2 38.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.137 0.494 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 t -59.67 -41.3 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.889 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 13' ' ' ILE . 52.7 t -61.41 -41.13 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.295 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.52 ' HG ' HD23 ' A' ' 21' ' ' LEU . 66.8 tp -54.44 -34.25 61.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -23.19 6.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.648 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -13.69 47.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.635 0.255 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.669 HD11 HD13 ' E' ' 21' ' ' LEU . 0.6 OUTLIER -69.43 -24.31 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.447 -179.066 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' E' ' 21' ' ' LEU . . . -70.25 -44.38 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.424 -178.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.62 -36.24 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.865 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.433 HG22 ' CE2' ' A' ' 23' ' ' PHE . 45.2 t -62.42 -39.31 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.94 -59.72 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -23.49 61.36 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.491 -0.883 . . . . 0.0 110.701 -177.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 23' ' ' PHE . 2.6 tp -63.74 -51.83 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 0.0 110.464 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' CB ' HG22 ' B' ' 29' ' ' VAL . 1.1 pp -53.84 -26.2 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.264 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG22 ' CB ' ' E' ' 28' ' ' LEU . 8.3 t -71.49 -45.08 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.211 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -31.88 68.15 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.076 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -45.76 46.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.28 65.87 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.331 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -66.98 -43.14 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.178 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.02 -20.38 9.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.0 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' HB1' HG21 ' E' ' 35' ' ' THR . . . -89.85 -3.57 58.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.372 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.42 -83.79 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.695 0.283 . . . . 0.0 110.623 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.133 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -109.74 -25.59 10.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.91 -30.63 74.39 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.434 ' O ' HG12 ' B' ' 14' ' ' VAL . 14.2 t -65.94 -11.38 46.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.618 0.247 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -35.86 15.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.892 0.377 . . . . 0.0 110.461 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.406 HG22 HG23 ' B' ' 17' ' ' VAL . 11.0 mm -94.4 -16.38 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.434 HG12 ' O ' ' B' ' 11' ' ' THR . 12.7 p -49.55 -36.39 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.894 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -55.17 38.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 111.222 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.72 -41.33 90.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.876 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.406 HG23 HG22 ' B' ' 13' ' ' ILE . 52.7 t -61.41 -41.04 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.378 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' B' ' 21' ' ' LEU . 66.4 tp -54.53 -34.38 61.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -23.04 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.668 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -12.64 43.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.625 0.25 . . . . 0.0 111.449 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.659 HD13 HD11 ' C' ' 21' ' ' LEU . 0.7 OUTLIER -70.37 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 111.246 -178.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . . . -70.17 -44.38 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.408 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.538 ' CE1' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -50.63 -36.34 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.915 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.434 HG22 ' CE2' ' B' ' 23' ' ' PHE . 44.9 t -62.21 -39.47 84.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.279 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.4 ' HA ' HD23 ' B' ' 28' ' ' LEU . 21.7 t -61.9 -60.0 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.9 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE1' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -58.61 -23.55 59.11 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.687 -177.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' B' ' 23' ' ' PHE . 2.6 tp -63.69 -51.86 63.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.056 0.455 . . . . 0.0 110.475 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.439 ' CB ' HG22 ' C' ' 29' ' ' VAL . 1.1 pp -53.87 -26.23 23.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.24 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' B' ' 28' ' ' LEU . 8.2 t -71.38 -45.18 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.24 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -31.88 68.11 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.168 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.1 -45.87 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -28.41 66.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.366 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mt -66.91 -43.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.13 -19.96 8.9 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.685 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.433 HG21 ' HB1' ' C' ' 36' ' ' ALA . 1.2 p -110.08 -24.89 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.469 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.53 57.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.38 -83.8 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.714 0.292 . . . . 0.0 110.618 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.182 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 67.1 p -109.79 -25.52 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.92 -30.64 74.38 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.436 ' O ' HG12 ' C' ' 14' ' ' VAL . 14.1 t -65.95 -11.43 47.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.592 0.234 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.61 -35.76 15.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.94 0.4 . . . . 0.0 110.558 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.409 HG22 HG23 ' C' ' 17' ' ' VAL . 11.0 mm -94.47 -16.29 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.907 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.436 HG12 ' O ' ' C' ' 11' ' ' THR . 12.7 p -49.6 -36.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.862 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -55.21 38.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.272 0.558 . . . . 0.0 111.229 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -59.77 -41.31 90.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.83 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.409 HG23 HG22 ' C' ' 13' ' ' ILE . 52.5 t -61.4 -41.08 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.507 ' HG ' HD23 ' C' ' 21' ' ' LEU . 66.6 tp -54.62 -34.2 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -23.04 5.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.566 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -12.69 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.646 0.26 . . . . 0.0 111.494 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.659 HD11 HD13 ' B' ' 21' ' ' LEU . 0.7 OUTLIER -70.32 -24.32 62.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.241 -179.008 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' B' ' 21' ' ' LEU . . . -70.11 -44.39 69.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.543 ' CE1' HD13 ' C' ' 27' ' ' LEU . 0.0 OUTLIER -50.69 -36.3 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.878 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' C' ' 23' ' ' PHE . 45.1 t -62.25 -39.42 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.275 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.88 -60.03 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.915 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.405 ' CE1' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -58.75 -23.39 59.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.727 -177.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' C' ' 23' ' ' PHE . 2.6 tp -63.77 -51.89 62.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 0.0 110.421 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.41 ' CB ' HG22 ' D' ' 29' ' ' VAL . 1.1 pp -53.87 -26.11 23.16 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.269 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' B' ' 28' ' ' LEU . 8.1 t -71.46 -45.2 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.233 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -31.89 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.123 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -45.68 46.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.054 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.34 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.33 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mt -66.97 -43.09 89.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.186 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.1 -19.95 8.72 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.724 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -110.1 -24.95 10.47 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.457 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . 0.433 ' HB1' HG21 ' B' ' 35' ' ' THR . . . -89.88 -3.63 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.288 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.48 -83.88 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.28 . . . . 0.0 110.552 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.186 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 66.8 p -109.82 -25.57 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.89 -30.73 74.51 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' THR . . . . . 0.433 ' O ' HG12 ' D' ' 14' ' ' VAL . 14.0 t -65.82 -11.79 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.651 0.262 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.12 -36.4 15.74 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.928 0.394 . . . . 0.0 110.522 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.422 HG22 HG23 ' D' ' 17' ' ' VAL . 10.9 mm -93.71 -16.6 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.977 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.433 HG12 ' O ' ' D' ' 11' ' ' THR . 12.6 p -49.39 -36.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.931 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -55.18 38.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.167 0.508 . . . . 0.0 111.179 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.73 -41.28 90.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.886 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' VAL . . . . . 0.422 HG23 HG22 ' D' ' 13' ' ' ILE . 52.6 t -61.51 -41.01 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.311 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' D' ' 21' ' ' LEU . 66.4 tp -54.52 -34.28 61.46 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 19' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' C' ' 18' ' ' LEU . 0.5 OUTLIER -52.58 -23.26 6.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.564 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -13.73 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 0.0 111.38 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.644 HD13 HD11 ' E' ' 21' ' ' LEU . 0.6 OUTLIER -69.3 -24.37 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.378 -179.054 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' C' ' 21' ' ' LEU . . . -70.25 -44.35 68.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' D' ' 27' ' ' LEU . 0.0 OUTLIER -50.67 -36.28 34.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.788 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.432 HG22 ' CE2' ' D' ' 23' ' ' PHE . 44.9 t -62.33 -39.45 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.216 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.402 ' HA ' HD23 ' D' ' 28' ' ' LEU . 21.7 t -61.82 -59.85 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -23.45 61.03 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.672 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' D' ' 23' ' ' PHE . 2.6 tp -63.68 -51.9 63.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 110.474 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.404 ' CB ' HG22 ' E' ' 29' ' ' VAL . 1.1 pp -53.9 -26.12 23.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' C' ' 28' ' ' LEU . 8.2 t -71.37 -45.24 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.282 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.98 68.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.176 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -45.77 47.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -28.34 65.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.94 -43.16 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.151 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.94 -20.44 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.618 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.04 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.522 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.44 58.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.29 -83.86 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 0.0 110.605 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.869 -1.063 . . . . 0.0 110.166 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -109.76 -25.59 10.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.97 -30.55 74.21 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 11' ' ' THR . . . . . 0.444 ' O ' HG12 ' E' ' 14' ' ' VAL . 14.1 t -65.77 -12.43 53.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.608 0.242 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.84 -38.81 15.37 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.897 0.379 . . . . 0.0 110.343 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 13' ' ' ILE . . . . . 0.42 HG22 HG23 ' E' ' 17' ' ' VAL . 11.0 mm -90.5 -17.66 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.666 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 14' ' ' VAL . . . . . 0.444 HG12 ' O ' ' E' ' 11' ' ' THR . 12.6 p -49.27 -36.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.897 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -55.12 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.207 0.527 . . . . 0.0 111.109 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -59.68 -41.35 90.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.9 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.42 HG23 HG22 ' E' ' 13' ' ' ILE . 52.5 t -61.47 -40.99 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 18' ' ' LEU . . . . . 0.529 ' HG ' HD23 ' E' ' 21' ' ' LEU . 66.5 tp -54.56 -34.17 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 19' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' D' ' 18' ' ' LEU . 0.5 OUTLIER -52.66 -23.34 6.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.665 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -15.6 56.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 21' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -67.98 -24.59 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.523 -178.761 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' D' ' 21' ' ' LEU . . . -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.426 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 23' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' E' ' 27' ' ' LEU . 0.0 OUTLIER -50.52 -36.37 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.874 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.436 HG22 ' CE2' ' E' ' 23' ' ' PHE . 44.5 t -62.26 -39.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.237 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.13 -59.3 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.041 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' PHE . . . . . 0.423 ' CE1' HD23 ' D' ' 27' ' ' LEU . 0.1 OUTLIER -59.29 -23.44 62.43 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.684 -177.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 27' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' E' ' 23' ' ' PHE . 2.6 tp -63.61 -51.95 63.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.054 0.454 . . . . 0.0 110.483 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.426 ' CB ' HG22 ' A' ' 29' ' ' VAL . 1.1 pp -53.82 -26.16 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 29' ' ' VAL . . . . . 0.408 ' N ' ' HG ' ' E' ' 28' ' ' LEU . 8.5 t -71.5 -45.04 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.29 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.39 -31.92 68.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.166 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -45.85 46.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.42 -28.37 66.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.407 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.88 -43.17 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.207 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.82 -21.06 10.04 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.54 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 35' ' ' THR . . . . . 0.402 HG21 ' HB1' ' A' ' 36' ' ' ALA . 1.2 p -108.78 -25.33 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.697 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.76 -3.46 58.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.34 -83.88 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 110.524 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.949 -1.025 . . . . 0.0 110.128 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.82 22.91 15.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.577 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.57 -42.83 99.33 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.6 p -77.53 -21.49 52.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -26.47 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.54 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -31.39 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.302 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.6 t -59.71 -43.82 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.453 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.67 -49.46 76.41 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.289 0.566 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.74 -41.9 82.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.831 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.429 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 54.4 t -70.55 -33.27 52.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.85 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.641 ' O ' HD13 ' B' ' 19' ' ' LEU . 0.4 OUTLIER -54.71 -22.01 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.852 179.319 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 ' O ' ' E' ' 18' ' ' LEU . 14.2 tp -106.65 0.11 24.13 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.774 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.429 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -53.32 -22.72 7.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.591 179.744 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -55.15 -17.42 4.19 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.972 179.425 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.63 ' N ' HD23 ' A' ' 21' ' ' LEU . . . -49.08 -24.27 1.53 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.236 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -70.8 -33.13 70.4 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.099 0.476 . . . . 0.0 111.196 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.731 HG13 HG11 ' B' ' 25' ' ' VAL . 0.4 OUTLIER -70.51 -29.24 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.526 -178.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.728 HG11 HG13 ' E' ' 24' ' ' VAL . 66.3 t -61.97 -47.64 92.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.424 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.49 -37.63 87.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.773 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.13 76.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.307 0.575 . . . . 0.0 110.486 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -44.16 92.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.107 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -28.57 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.233 0.54 . . . . 0.0 110.018 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -40.96 98.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.485 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.94 -25.27 59.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.634 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 2.3 mt -63.76 -39.13 84.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.29 -37.25 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.35 -18.55 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -77.92 -1.87 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.964 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.91 105.81 0.08 Allowed 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.272 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.633 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.9 23.03 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.65 -42.77 99.42 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 57.9 p -77.67 -21.41 52.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.71 0.29 . . . . 0.0 110.409 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -26.37 67.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.511 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -31.42 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.246 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.65 -43.93 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.476 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.73 -49.36 76.73 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.296 0.569 . . . . 0.0 110.916 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.62 -41.94 82.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.878 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.413 ' O ' ' HD2' ' B' ' 20' ' ' PHE . 54.2 t -70.49 -32.96 51.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.869 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.62 ' O ' HD13 ' C' ' 19' ' ' LEU . 0.4 OUTLIER -55.4 -20.25 11.57 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.085 179.377 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.641 HD13 ' O ' ' A' ' 18' ' ' LEU . 14.4 tp -109.05 1.64 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.595 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 0.6 OUTLIER -54.46 -22.37 12.53 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.489 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.635 HD23 ' N ' ' B' ' 22' ' ' ALA . 0.5 OUTLIER -55.34 -17.28 4.51 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.951 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.635 ' N ' HD23 ' B' ' 21' ' ' LEU . . . -49.28 -24.13 1.69 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.263 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' B' ' 24' ' ' VAL . 2.6 p90 -70.85 -33.15 70.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.084 0.469 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.712 HG13 HG11 ' C' ' 25' ' ' VAL . 0.4 OUTLIER -70.6 -29.12 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -178.606 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.731 HG11 HG13 ' A' ' 24' ' ' VAL . 67.1 t -62.05 -47.63 92.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.48 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.38 -37.71 87.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.914 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.59 -35.03 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.441 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.23 92.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.088 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -28.64 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -46.4 88.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.337 0.589 . . . . 0.0 110.053 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -41.0 98.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.81 -25.39 60.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.463 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.636 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 2.3 mt -63.72 -39.17 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.33 -37.23 16.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.29 -18.66 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.777 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -77.97 -1.84 33.99 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.954 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.95 105.75 0.08 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.946 0.403 . . . . 0.0 110.285 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.144 -0.932 . . . . 0.0 110.639 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.79 22.93 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.51 -42.76 99.22 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 58.5 p -77.7 -21.47 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -26.38 67.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.507 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.54 -31.48 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.282 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.68 -43.85 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.501 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.69 -49.51 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -57.43 -42.1 81.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.433 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 54.6 t -70.65 -32.85 50.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.642 ' O ' HD13 ' D' ' 19' ' ' LEU . 0.4 OUTLIER -55.33 -20.49 11.71 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.084 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.62 HD13 ' O ' ' B' ' 18' ' ' LEU . 14.3 tp -108.9 1.59 20.89 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.502 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 0.6 OUTLIER -54.51 -22.35 12.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.618 HD23 ' N ' ' C' ' 22' ' ' ALA . 0.5 OUTLIER -55.37 -17.19 4.45 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.849 179.426 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.618 ' N ' HD23 ' C' ' 21' ' ' LEU . . . -49.29 -24.22 1.74 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.261 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' C' ' 24' ' ' VAL . 2.6 p90 -70.75 -33.17 70.53 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.091 0.472 . . . . 0.0 111.237 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.731 HG13 HG11 ' D' ' 25' ' ' VAL . 0.4 OUTLIER -70.57 -29.2 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.577 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 25' ' ' VAL . . . . . 0.712 HG11 HG13 ' B' ' 24' ' ' VAL . 65.7 t -61.94 -47.65 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.451 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.46 -37.64 87.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.892 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.61 -35.05 76.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.266 0.555 . . . . 0.0 110.428 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -44.2 92.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.109 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -28.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.126 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.359 0.6 . . . . 0.0 110.051 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.91 97.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.85 -25.4 60.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.624 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 2.3 mt -63.75 -39.17 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.38 -37.27 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.27 -18.58 19.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.803 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -77.9 -1.86 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.004 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.83 105.69 0.08 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.812 0.339 . . . . 0.0 110.315 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.623 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 81.9 p -108.91 22.9 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.51 -42.88 99.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 58.1 p -77.58 -21.46 52.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.303 . . . . 0.0 110.447 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -26.27 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.487 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -31.48 9.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.278 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.67 -43.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.49 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.71 -49.41 76.55 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.288 0.566 . . . . 0.0 110.918 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.67 -41.96 82.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 54.4 t -70.54 -33.28 52.77 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.832 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.653 ' O ' HD13 ' E' ' 19' ' ' LEU . 0.4 OUTLIER -54.79 -21.91 12.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.427 -0.509 . . . . 0.0 109.85 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 19' ' ' LEU . . . . . 0.642 HD13 ' O ' ' C' ' 18' ' ' LEU . 14.1 tp -106.67 0.08 24.06 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.792 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 0.6 OUTLIER -53.35 -22.8 7.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.487 179.769 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.623 HD23 ' N ' ' D' ' 22' ' ' ALA . 0.5 OUTLIER -55.08 -17.47 4.06 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.95 179.403 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ALA . . . . . 0.623 ' N ' HD23 ' D' ' 21' ' ' LEU . . . -48.98 -24.39 1.49 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.399 -0.521 . . . . 0.0 111.254 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 23' ' ' PHE . . . . . 0.404 ' CG ' ' N ' ' D' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.15 70.53 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.213 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.743 HG13 HG11 ' E' ' 25' ' ' VAL . 0.4 OUTLIER -70.48 -29.18 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.561 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.731 HG11 HG13 ' C' ' 24' ' ' VAL . 66.4 t -61.95 -47.72 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.427 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.45 -37.75 87.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.02 76.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.19 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.081 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -28.49 45.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.207 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -46.49 87.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.225 0.536 . . . . 0.0 110.018 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -41.03 98.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.9 -25.24 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.498 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.628 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 2.3 mt -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.35 -37.25 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.36 -18.49 19.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.783 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -77.97 -1.88 34.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.84 105.67 0.08 Allowed 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.365 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.661 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.86 23.04 15.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.602 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.87 99.36 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 58.1 p -77.56 -21.47 52.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.309 . . . . 0.0 110.432 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -26.41 67.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.518 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.53 -31.52 9.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.265 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.67 -43.8 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.75 -49.31 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.16 0.505 . . . . 0.0 110.931 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.8 -41.97 83.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.788 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 53.9 t -70.36 -33.79 55.48 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.971 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 18' ' ' LEU . . . . . 0.617 ' O ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.54 -26.8 22.7 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 19' ' ' LEU . . . . . 0.653 HD13 ' O ' ' D' ' 18' ' ' LEU . 12.8 tp -96.33 -8.88 31.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.432 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 0.5 OUTLIER -49.56 -23.27 1.56 Allowed 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.151 -0.343 . . . . 0.0 111.083 -176.695 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 21' ' ' LEU . . . . . 0.635 HD23 ' N ' ' E' ' 22' ' ' ALA . 0.5 OUTLIER -53.91 -19.08 4.02 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.911 179.068 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 22' ' ' ALA . . . . . 0.635 ' N ' HD23 ' E' ' 21' ' ' LEU . . . -48.21 -24.47 1.17 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.324 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 23' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' E' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.27 70.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.114 0.483 . . . . 0.0 111.201 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.728 HG13 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -70.43 -29.21 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.587 -178.725 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 25' ' ' VAL . . . . . 0.743 HG11 HG13 ' D' ' 24' ' ' VAL . 67.5 t -62.06 -47.67 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.332 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.39 -37.75 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.881 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.52 -35.1 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.288 0.566 . . . . 0.0 110.415 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -44.11 92.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.123 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.139 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.91 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.085 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 -25.3 59.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.421 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.631 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 2.3 mt -63.76 -39.15 84.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.045 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.43 -37.17 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.37 -18.53 19.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.742 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 36' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -78.0 -1.83 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.983 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.84 105.75 0.08 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.286 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.705 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.188 0 CA-C-O 120.55 0.214 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 15' ' ' ASN . 35.8 m -49.6 -39.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.397 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . 4.4 m120 -59.38 -59.37 5.55 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.34 0.591 . . . . 0.0 111.399 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -59.83 -36.08 76.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.497 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.77 -46.64 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.211 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.24 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.66 -23.99 13.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.913 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -17.87 4.51 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.6 6.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.78 39.48 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.96 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -31.86 64.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.058 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.56 HG13 HG11 ' B' ' 25' ' ' VAL . 0.5 OUTLIER -64.75 -30.29 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.453 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG11 HG13 ' E' ' 24' ' ' VAL . 39.7 t -68.44 -58.27 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.25 -25.38 61.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.239 0.542 . . . . 0.0 109.824 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tt -70.61 -39.35 73.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.202 0.525 . . . . 0.0 110.205 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -60.31 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.002 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.401 HG13 HD12 ' E' ' 28' ' ' LEU . 34.0 m -69.73 -28.9 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.308 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.93 75.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.22 -40.14 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.981 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.587 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 33.8 mm -84.46 -24.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.01 -29.46 12.52 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.222 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.78 -21.29 13.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.478 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -88.23 -3.99 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.536 -179.387 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.215 0 CA-C-O 120.476 0.179 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.421 HG23 ' N ' ' B' ' 15' ' ' ASN . 35.9 m -49.68 -39.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.337 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . 0.421 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.4 m120 -59.11 -59.94 4.67 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.371 0.605 . . . . 0.0 111.33 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -59.48 -35.99 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.549 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.84 -46.62 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.182 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -56.02 -31.16 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.67 -23.98 13.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.917 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.14 -17.69 4.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.988 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -19.48 6.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.76 40.95 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.893 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.87 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.06 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.538 HG13 HG11 ' C' ' 25' ' ' VAL . 0.5 OUTLIER -64.76 -30.33 49.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.56 HG11 HG13 ' A' ' 24' ' ' VAL . 39.5 t -68.42 -58.31 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.27 -25.3 61.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.237 0.541 . . . . 0.0 109.783 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.66 -39.45 73.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.203 0.525 . . . . 0.0 110.174 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -60.29 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 28' ' ' LEU . 34.0 m -69.63 -28.96 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.386 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.89 75.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.28 -40.11 71.12 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.69 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.571 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 33.9 mm -84.56 -24.41 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.03 -29.49 12.77 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.194 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.25 13.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.481 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -88.21 -4.04 58.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.63 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 -179.371 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.224 -0.251 0 CA-C-O 120.515 0.197 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.42 HG23 ' N ' ' C' ' 15' ' ' ASN . 35.8 m -49.62 -39.23 14.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.326 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . 0.42 ' N ' HG23 ' C' ' 14' ' ' VAL . 4.4 m120 -59.16 -59.88 4.75 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.37 0.605 . . . . 0.0 111.37 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.9 m -59.45 -36.09 75.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -58.79 -46.62 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.27 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.61 -24.1 12.97 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -17.78 4.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.979 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -19.39 6.22 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.519 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.25 -51.71 42.22 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.81 64.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 110.036 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.555 HG13 HG11 ' D' ' 25' ' ' VAL . 0.5 OUTLIER -64.74 -30.32 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.497 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.538 HG11 HG13 ' B' ' 24' ' ' VAL . 39.6 t -68.44 -58.29 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.23 -25.3 61.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.255 0.55 . . . . 0.0 109.854 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.63 -39.41 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.198 0.523 . . . . 0.0 110.269 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' B' ' 28' ' ' LEU . 0.6 OUTLIER -60.29 -47.43 86.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.071 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.4 HG13 HD12 ' B' ' 28' ' ' LEU . 34.0 m -69.71 -28.89 39.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.339 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.98 76.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.17 -40.12 71.47 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.975 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.64 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.596 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 33.8 mm -84.6 -24.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -29.43 13.39 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.26 13.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -88.18 -4.04 58.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.637 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.905 0.383 . . . . 0.0 110.525 -179.335 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.235 0 CA-C-O 120.527 0.203 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.41 HG23 ' N ' ' D' ' 15' ' ' ASN . 35.8 m -49.65 -39.18 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.327 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' ASN . . . . . 0.41 ' N ' HG23 ' D' ' 14' ' ' VAL . 4.4 m120 -59.3 -59.45 5.44 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 111.411 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -59.77 -36.09 75.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.507 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.73 -46.68 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.214 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.93 -31.31 62.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.55 -24.06 12.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.934 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -17.85 4.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.01 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -19.56 6.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.533 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.11 -51.7 40.87 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -31.89 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.061 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.549 HG13 HG11 ' E' ' 25' ' ' VAL . 0.5 OUTLIER -64.73 -30.29 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.555 HG11 HG13 ' C' ' 24' ' ' VAL . 39.6 t -68.49 -58.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.33 -25.37 61.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.267 0.556 . . . . 0.0 109.797 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.62 -39.38 73.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.166 0.508 . . . . 0.0 110.239 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' E' ' 28' ' ' LEU . 0.6 OUTLIER -60.31 -47.5 85.75 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.7 -28.86 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.341 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -44.98 76.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.24 -40.1 71.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.966 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.79 76.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 34.0 mm -84.47 -24.42 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.45 12.8 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.237 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -104.77 -21.34 13.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.452 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -88.19 -3.98 58.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.637 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 -179.377 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.225 -0.214 0 CA-C-O 120.504 0.192 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . 0.424 HG23 ' N ' ' E' ' 15' ' ' ASN . 35.8 m -49.65 -39.16 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.287 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' ASN . . . . . 0.424 ' N ' HG23 ' E' ' 14' ' ' VAL . 4.3 m120 -59.81 -58.3 9.15 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.303 0.573 . . . . 0.0 111.554 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -60.43 -36.08 77.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.83 -46.68 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.167 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.92 -31.24 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.69 -24.01 13.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.882 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -17.93 4.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.043 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.41 -19.91 6.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.501 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.76 38.41 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.917 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.86 64.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.076 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.537 HG13 HG11 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -64.78 -30.3 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . 0.549 HG11 HG13 ' D' ' 24' ' ' VAL . 39.5 t -68.39 -58.43 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.11 -25.41 61.33 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.6 -39.39 73.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.225 0.536 . . . . 0.0 110.226 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' D' ' 28' ' ' LEU . 0.6 OUTLIER -60.37 -47.49 85.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.947 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.63 -28.93 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.406 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.35 -44.78 76.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.33 -40.09 70.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.939 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.05 77.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 34.1 mm -84.05 -24.61 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -29.44 12.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.243 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.74 -21.37 13.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -88.19 -4.0 58.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.602 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.325 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.913 0.387 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.12 -34.31 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.301 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.637 ' HA ' HD23 ' A' ' 18' ' ' LEU . 17.7 m-80 -58.82 -49.14 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.299 0.571 . . . . 0.0 110.685 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.12 -30.47 71.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.194 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 98.2 t -68.35 -56.34 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.337 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -52.82 -19.67 2.67 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.655 0.597 . . . . 0.0 111.461 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -24.18 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.449 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 16.7 p90 -62.45 -8.22 5.81 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.135 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' B' ' 22' ' ' ALA . 0.2 OUTLIER -56.24 -15.67 4.22 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.184 -0.322 . . . . 0.0 111.234 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.696 ' HB1' HG11 ' E' ' 24' ' ' VAL . . . -86.11 -25.32 25.85 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -42.36 99.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.407 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.688 HG11 ' HB1' ' B' ' 22' ' ' ALA . 17.0 m -62.54 -27.03 42.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.7 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.45 -50.44 51.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.319 0.581 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -33.87 74.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.077 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.45 -44.56 95.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.364 0.602 . . . . 0.0 110.0 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.6 HD22 HD11 ' E' ' 28' ' ' LEU . 3.2 tt -59.43 -36.39 75.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.711 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 t -64.4 -37.69 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.81 -29.77 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.56 . . . . 0.0 110.259 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.52 -45.82 13.14 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.85 90.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.35 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 29' ' ' VAL . 1.7 tt -73.5 -33.03 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.593 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.65 -26.48 3.72 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.83 -30.8 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.458 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.99 86.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.076 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.169 -178.501 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.952 0.406 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 t -56.09 -34.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . 0.645 ' HA ' HD23 ' B' ' 18' ' ' LEU . 17.5 m-80 -58.94 -49.05 79.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.319 0.58 . . . . 0.0 110.608 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -62.14 -30.5 71.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.157 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' B' ' 20' ' ' PHE . 97.8 t -68.39 -56.37 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.234 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' B' ' 15' ' ' ASN . 0.6 OUTLIER -52.77 -19.67 2.63 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.565 0.54 . . . . 0.0 111.472 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -23.86 0.33 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.453 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 17.0 p90 -63.13 -7.14 5.09 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.845 -0.161 . . . . 0.0 111.157 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' C' ' 22' ' ' ALA . 0.2 OUTLIER -57.23 -15.19 5.33 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 122.232 -0.292 . . . . 0.0 111.064 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.688 ' HB1' HG11 ' A' ' 24' ' ' VAL . . . -86.47 -25.02 25.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.39 98.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' C' ' 22' ' ' ALA . 16.7 m -62.58 -27.08 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.602 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.39 -50.52 50.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.263 0.554 . . . . 0.0 110.704 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.91 74.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.132 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.52 -44.48 96.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.318 0.58 . . . . 0.0 109.947 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.601 HD11 HD22 ' C' ' 28' ' ' LEU . 3.2 tt -59.38 -36.45 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 33' ' ' ILE . 2.0 t -64.42 -37.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.64 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.66 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 110.315 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -45.84 13.06 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.82 90.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 110.371 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.488 HG22 ' O ' ' B' ' 29' ' ' VAL . 1.7 tt -73.6 -33.06 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.501 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.66 -26.55 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.73 -30.78 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.521 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.97 86.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 CA--C 1.533 0.294 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.121 -178.511 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.892 0.377 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.16 -34.24 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.297 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . 0.641 ' HA ' HD23 ' C' ' 18' ' ' LEU . 17.7 m-80 -58.88 -48.91 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 110.659 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.25 -30.53 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.195 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.457 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 98.2 t -68.4 -56.35 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.292 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.641 HD23 ' HA ' ' C' ' 15' ' ' ASN . 0.6 OUTLIER -52.77 -19.62 2.6 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.532 0.52 . . . . 0.0 111.468 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.89 -23.89 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.457 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 16.7 p90 -63.1 -7.12 4.95 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.163 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' D' ' 22' ' ' ALA . 0.2 OUTLIER -57.25 -15.13 5.28 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 122.246 -0.284 . . . . 0.0 111.099 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' B' ' 24' ' ' VAL . . . -86.52 -25.04 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -42.42 98.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.328 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.692 HG11 ' HB1' ' D' ' 22' ' ' ALA . 17.0 m -62.5 -27.08 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.738 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -69.43 -50.52 50.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.734 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.8 74.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.137 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.59 -44.39 96.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.039 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.615 HD11 HD22 ' D' ' 28' ' ' LEU . 3.2 tt -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.71 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.482 ' O ' HG22 ' C' ' 33' ' ' ILE . 2.0 t -64.49 -37.61 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -29.76 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.263 0.554 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.44 -45.91 13.12 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.396 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.482 HG22 ' O ' ' C' ' 29' ' ' VAL . 1.7 tt -73.6 -33.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.606 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.69 -26.42 3.73 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.82 -30.79 11.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.017 0.436 . . . . 0.0 110.52 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.96 85.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.111 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.531 0.248 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.146 -178.554 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.951 0.405 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.12 -34.31 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' ASN . . . . . 0.649 ' HA ' HD23 ' D' ' 18' ' ' LEU . 17.8 m-80 -58.83 -49.08 79.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 110.699 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.14 -30.55 71.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.188 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 97.6 t -68.37 -56.36 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.254 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' D' ' 15' ' ' ASN . 0.6 OUTLIER -52.76 -19.62 2.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.573 0.546 . . . . 0.0 111.507 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -24.06 0.36 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.088 0.243 . . . . 0.0 111.637 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.453 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 16.9 p90 -62.55 -8.18 5.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.141 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' E' ' 22' ' ' ALA . 0.2 OUTLIER -56.29 -15.7 4.36 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.187 -179.474 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . 0.692 ' HB1' HG11 ' C' ' 24' ' ' VAL . . . -86.02 -25.36 26.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -42.42 99.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.68 HG11 ' HB1' ' E' ' 22' ' ' ALA . 16.9 m -62.57 -27.05 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.675 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.51 -50.31 51.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.696 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -33.73 74.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.099 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.38 96.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.325 0.583 . . . . 0.0 109.976 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.615 HD22 HD11 ' C' ' 28' ' ' LEU . 3.2 tt -59.45 -36.38 75.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.694 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.476 ' O ' HG22 ' D' ' 33' ' ' ILE . 2.0 t -64.42 -37.67 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.606 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.72 70.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.219 0.533 . . . . 0.0 110.238 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.5 -45.89 13.07 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.78 90.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.369 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.476 HG22 ' O ' ' D' ' 29' ' ' VAL . 1.7 tt -73.56 -33.18 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.543 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -26.51 3.56 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -30.81 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.93 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.532 0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.113 -178.499 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.969 0.414 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -56.1 -34.33 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.251 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' ASN . . . . . 0.658 ' HA ' HD23 ' E' ' 18' ' ' LEU . 17.6 m-80 -58.92 -49.08 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.213 0.53 . . . . 0.0 110.597 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.04 -30.6 71.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.446 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 98.2 t -68.35 -56.27 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' E' ' 15' ' ' ASN . 0.6 OUTLIER -52.88 -19.37 2.5 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.61 0.569 . . . . 0.0 111.515 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.27 -24.32 0.46 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.587 0.232 . . . . 0.0 111.586 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.446 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 15.5 p90 -59.99 -12.59 8.34 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.088 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -52.62 -17.91 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.152 -0.342 . . . . 0.0 111.623 -179.28 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' ALA . . . . . 0.68 ' HB1' HG11 ' D' ' 24' ' ' VAL . . . -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.835 0.35 . . . . 0.0 110.096 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.61 99.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.383 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.696 HG11 ' HB1' ' A' ' 22' ' ' ALA . 16.9 m -62.56 -26.95 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.662 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -69.51 -50.47 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.205 0.526 . . . . 0.0 110.649 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -33.76 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.128 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.34 96.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.315 0.578 . . . . 0.0 110.059 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 28' ' ' LEU . 3.1 tt -59.5 -36.34 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.71 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . 0.49 ' O ' HG22 ' E' ' 33' ' ' ILE . 2.0 t -64.37 -37.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.584 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -29.61 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.255 0.55 . . . . 0.0 110.306 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -45.95 13.02 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.82 90.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.355 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.49 HG22 ' O ' ' E' ' 29' ' ' VAL . 1.7 tt -73.6 -33.04 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.531 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.85 -30.89 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 0.0 110.428 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.0 86.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.092 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 CA--C 1.532 0.277 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.122 -178.525 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.629 HG22 HG23 ' A' ' 17' ' ' VAL . 5.5 mm . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.754 0.311 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.58 -34.41 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.544 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.55 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.291 0.567 . . . . 0.0 111.039 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -58.29 -36.15 72.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.716 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.629 HG23 HG22 ' A' ' 13' ' ' ILE . 2.7 t -53.74 -48.59 60.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.78 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -60.02 -20.94 60.47 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.601 179.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -17.45 0.39 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD12 HD22 ' B' ' 21' ' ' LEU . 5.8 tt -49.22 -20.14 0.57 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 121.994 0.118 . . . . 0.0 110.98 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -18.4 4.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.725 0.297 . . . . 0.0 111.352 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.43 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' B' ' 25' ' ' VAL . 0.9 OUTLIER -69.76 -50.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.56 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG11 ' CG2' ' E' ' 24' ' ' VAL . 0.1 OUTLIER -47.4 -54.5 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.326 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' E' ' 27' ' ' LEU . 10.5 m-85 -64.26 -38.58 91.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.989 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' B' ' 26' ' ' PHE . 13.7 tp -61.12 -41.13 96.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.73 -40.24 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -34.56 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.731 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -56.71 -48.15 78.35 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.361 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' N ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.32 -38.93 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.77 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.504 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.65 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -72.58 -33.1 43.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.611 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.45 -32.32 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.566 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.85 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -64.45 -21.15 66.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.436 0.636 . . . . 0.0 110.377 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.62 HG22 HG23 ' B' ' 17' ' ' VAL . 5.5 mm . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.756 0.313 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.46 -34.47 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.538 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.42 -59.62 4.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.239 0.543 . . . . 0.0 111.067 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.35 -36.25 73.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.639 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.62 HG23 HG22 ' B' ' 13' ' ' ILE . 2.7 t -53.76 -48.56 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.779 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.15 -28.82 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.665 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.484 ' O ' HD12 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -59.91 -21.06 60.59 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.595 179.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -17.53 0.4 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 21' ' ' LEU . 5.8 tt -49.14 -20.13 0.54 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 122.044 0.138 . . . . 0.0 110.962 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -18.21 3.99 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 111.394 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -28.35 19.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.437 ' CG2' HG11 ' C' ' 25' ' ' VAL . 0.9 OUTLIER -69.81 -50.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -47.42 -54.56 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.282 -179.465 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.456 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 10.5 m-85 -64.19 -38.59 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.972 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.445 HD21 ' CZ ' ' C' ' 26' ' ' PHE . 13.7 tp -61.08 -41.12 96.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.527 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.14 94.73 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.47 -34.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.683 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.422 HG22 ' N ' ' B' ' 31' ' ' LEU . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.062 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.422 ' N ' HG22 ' B' ' 30' ' ' THR . 0.1 OUTLIER -66.23 -39.04 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.32 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.63 -24.81 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.507 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.659 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 0.1 OUTLIER -72.52 -33.12 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.633 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.49 -32.24 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.534 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.78 -30.84 10.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.366 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -64.48 -21.12 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 121.412 0.625 . . . . 0.0 110.368 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.634 HG22 HG23 ' C' ' 17' ' ' VAL . 5.5 mm . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.746 0.308 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -48.41 -34.5 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.564 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.45 -59.74 4.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.279 0.562 . . . . 0.0 110.981 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.23 -36.23 72.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.646 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.634 HG23 HG22 ' C' ' 13' ' ' ILE . 2.7 t -53.71 -48.59 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.804 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.19 -28.8 69.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.487 ' O ' HD12 ' C' ' 19' ' ' LEU . 0.1 OUTLIER -59.94 -21.05 60.65 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.503 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -17.55 0.4 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.52 HD22 HD12 ' B' ' 21' ' ' LEU . 5.8 tt -49.11 -20.08 0.52 Allowed 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.508 -0.12 . . . . 0.0 110.991 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -18.16 3.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.669 0.271 . . . . 0.0 111.334 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -28.29 19.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.447 ' CG2' HG11 ' D' ' 25' ' ' VAL . 0.9 OUTLIER -69.87 -50.65 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.521 179.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.447 ' N ' HG12 ' C' ' 24' ' ' VAL . 0.1 OUTLIER -47.3 -54.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.366 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' B' ' 27' ' ' LEU . 10.5 m-85 -64.22 -38.52 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.013 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' D' ' 26' ' ' PHE . 13.7 tp -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.471 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.77 -40.25 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -34.46 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.7 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . 0.416 HG22 ' N ' ' C' ' 31' ' ' LEU . 0.8 OUTLIER -56.73 -48.15 78.4 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.001 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . 0.416 ' N ' HG22 ' C' ' 30' ' ' THR . 0.1 OUTLIER -66.22 -39.01 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.83 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.484 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.649 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 0.1 OUTLIER -72.5 -33.1 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.633 -179.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.5 -32.26 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.75 -30.83 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.406 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -64.49 -21.14 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.765 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 121.428 0.633 . . . . 0.0 110.375 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.63 HG22 HG23 ' D' ' 17' ' ' VAL . 5.5 mm . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -48.61 -34.31 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.587 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.6 -59.59 4.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.341 0.591 . . . . 0.0 111.033 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.5 m -58.27 -36.22 72.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.721 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . 0.63 HG23 HG22 ' D' ' 13' ' ' ILE . 2.7 t -53.68 -48.6 59.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.808 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.19 -28.8 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' LEU . . . . . 0.482 ' O ' HD12 ' D' ' 19' ' ' LEU . 0.1 OUTLIER -59.98 -20.96 60.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.583 179.543 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -17.44 0.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.515 HD22 HD12 ' C' ' 21' ' ' LEU . 5.8 tt -49.22 -20.1 0.57 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.356 0.122 . . . . 0.0 110.978 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.41 -18.42 4.16 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 111.312 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.48 20.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.44 HG12 ' N ' ' D' ' 25' ' ' VAL . 0.9 OUTLIER -69.8 -50.64 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.556 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' C' ' 24' ' ' VAL . 0.1 OUTLIER -47.35 -54.6 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.285 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' C' ' 27' ' ' LEU . 10.6 m-85 -64.22 -38.56 91.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.442 HD21 ' CZ ' ' E' ' 26' ' ' PHE . 13.8 tp -61.15 -41.08 96.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.21 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -34.57 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.645 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . 0.415 HG22 ' N ' ' D' ' 31' ' ' LEU . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.037 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.415 ' N ' HG22 ' D' ' 30' ' ' THR . 0.1 OUTLIER -66.24 -39.05 89.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.331 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.73 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.526 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.649 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 0.1 OUTLIER -72.52 -33.2 44.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 -179.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.44 -32.29 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.554 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.87 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -64.38 -21.25 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 121.382 0.611 . . . . 0.0 110.36 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . 0.623 HG22 HG23 ' E' ' 17' ' ' VAL . 5.6 mm . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -48.69 -34.23 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.506 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.18 -58.4 6.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.167 0.508 . . . . 0.0 111.214 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -59.0 -36.15 74.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.616 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.623 HG23 HG22 ' E' ' 13' ' ' ILE . 2.7 t -53.71 -48.71 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.73 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.09 -28.85 70.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' LEU . . . . . 0.491 ' O ' HD12 ' E' ' 19' ' ' LEU . 0.1 OUTLIER -59.98 -20.92 60.29 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 179.568 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -17.78 0.41 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' LEU . . . . . 0.514 HD22 HD12 ' D' ' 21' ' ' LEU . 5.8 tt -48.9 -20.44 0.5 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.057 0.143 . . . . 0.0 110.959 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -18.98 4.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.769 0.319 . . . . 0.0 111.289 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -28.93 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.443 ' CG2' HG11 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -69.61 -50.69 48.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . 0.437 ' N ' HG12 ' E' ' 24' ' ' VAL . 0.1 OUTLIER -47.32 -54.55 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.299 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' PHE . . . . . 0.442 ' CZ ' HD21 ' D' ' 27' ' ' LEU . 10.5 m-85 -64.25 -38.56 91.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 13.7 tp -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.491 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.79 -40.2 94.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -34.44 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.721 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 31' ' ' LEU . 0.8 OUTLIER -56.77 -48.16 78.49 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.003 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . 0.423 ' N ' HG22 ' E' ' 30' ' ' THR . 0.1 OUTLIER -66.22 -39.0 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.72 -24.73 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.492 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.634 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 0.1 OUTLIER -72.48 -33.26 44.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.63 -179.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.4 -32.28 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.7 -30.89 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -64.39 -21.22 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 121.425 0.631 . . . . 0.0 110.341 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.651 0.262 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.9 t -52.94 -64.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.06 0.457 . . . . 0.0 110.549 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -64.9 -33.78 76.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.47 -47.81 78.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.45 -47.46 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.31 -27.36 67.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.477 0.486 . . . . 0.0 110.469 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.22 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.92 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.0 -22.8 2.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.6 0.238 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.74 -22.77 3.81 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.524 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.74 -28.06 5.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.671 0.272 . . . . 0.0 110.748 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.22 -31.08 15.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.42 ' CG2' HG21 ' B' ' 25' ' ' VAL . 0.5 OUTLIER -72.09 -32.93 45.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 0.0 111.058 -179.164 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 26' ' ' PHE . 29.9 m -67.11 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.466 0.65 . . . . 0.0 110.611 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 30' ' ' THR . 6.6 m-85 -71.27 -30.09 65.86 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.779 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.68 98.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.088 0.47 . . . . 0.0 109.844 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.16 -37.88 81.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.853 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 33' ' ' ILE . 55.1 t -61.92 -41.79 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 26' ' ' PHE . 17.1 p -61.05 -40.59 94.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.67 -16.94 37.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.765 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.34 -22.49 21.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.467 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 29' ' ' VAL . 8.5 tt -92.08 -33.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.824 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.16 -27.33 13.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.69 1.3 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.167 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.716 0.294 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.1 t -52.65 -65.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.484 . . . . 0.0 110.498 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -64.05 -33.89 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.45 -47.88 78.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.41 -47.43 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.32 -27.36 67.27 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 123.564 0.54 . . . . 0.0 110.435 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -19.1 5.11 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.12 -22.74 2.67 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.624 0.25 . . . . 0.0 110.629 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.76 -22.73 3.82 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.5 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.79 -27.72 5.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.696 0.284 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.75 -30.93 15.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.513 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' C' ' 25' ' ' VAL . 0.5 OUTLIER -72.13 -32.88 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.007 0.432 . . . . 0.0 111.012 -179.215 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 26' ' ' PHE . 29.5 m -67.1 -44.23 88.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.501 0.667 . . . . 0.0 110.617 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 30' ' ' THR . 6.6 m-85 -71.31 -30.0 65.71 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.815 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -42.66 98.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.149 0.5 . . . . 0.0 109.871 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.25 -37.81 81.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.832 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.415 ' O ' HG22 ' B' ' 33' ' ' ILE . 55.2 t -61.89 -41.94 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 26' ' ' PHE . 16.9 p -60.89 -40.6 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.9 -16.16 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.758 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 -21.24 21.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.759 0.314 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.421 HD13 HG21 ' B' ' 33' ' ' ILE . 8.4 tt -93.41 -33.52 5.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.425 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.59 65.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.775 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.49 13.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.51 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.361 -179.075 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.739 0.304 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.59 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.537 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.09 -33.95 76.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.811 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.34 -47.9 77.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.53 -47.35 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.34 -27.35 67.3 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.498 0.498 . . . . 0.0 110.466 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.16 5.09 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.93 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.05 -22.74 2.55 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.582 0.23 . . . . 0.0 110.662 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.76 -22.71 3.81 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.568 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 -27.77 5.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -30.95 15.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' D' ' 25' ' ' VAL . 0.5 OUTLIER -72.17 -32.92 44.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 0.0 111.032 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.471 HG23 ' N ' ' C' ' 26' ' ' PHE . 29.7 m -67.1 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.469 0.652 . . . . 0.0 110.623 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.584 ' O ' HG23 ' C' ' 30' ' ' THR . 6.7 m-85 -71.28 -30.07 65.83 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.828 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.62 98.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.26 -37.82 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.866 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.402 ' O ' HG22 ' C' ' 33' ' ' ILE . 55.3 t -61.94 -41.86 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.958 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . 0.584 HG23 ' O ' ' C' ' 26' ' ' PHE . 16.9 p -60.94 -40.58 93.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 110.89 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.97 -16.06 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.57 -21.23 20.95 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.723 0.297 . . . . 0.0 110.471 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.402 HG22 ' O ' ' C' ' 29' ' ' VAL . 8.4 tt -93.37 -33.53 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.382 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.61 65.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.754 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.41 13.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.868 0.366 . . . . 0.0 110.702 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.65 1.68 40.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 120.669 0.271 . . . . 0.0 110.326 -179.15 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.718 0.295 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -52.98 -64.85 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.13 0.491 . . . . 0.0 110.535 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.49 -47.91 78.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.46 -47.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.39 -27.36 67.37 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.521 0.513 . . . . 0.0 110.383 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.38 -19.24 5.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.924 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.91 -22.88 2.45 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.642 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.71 -22.73 3.73 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.524 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.71 -28.11 5.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.653 0.263 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.23 -31.04 15.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.595 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.434 ' CG2' HG21 ' E' ' 25' ' ' VAL . 0.5 OUTLIER -72.22 -32.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 111.024 -179.097 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.479 HG23 ' N ' ' D' ' 26' ' ' PHE . 30.0 m -67.12 -44.07 88.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.47 0.652 . . . . 0.0 110.649 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.591 ' O ' HG23 ' D' ' 30' ' ' THR . 6.6 m-85 -71.35 -30.11 65.79 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.773 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -42.68 98.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.139 0.495 . . . . 0.0 109.866 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.24 -37.88 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.794 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.407 ' O ' HG22 ' D' ' 33' ' ' ILE . 55.1 t -61.92 -41.82 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . 0.591 HG23 ' O ' ' D' ' 26' ' ' PHE . 17.1 p -61.03 -40.66 94.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.993 0.425 . . . . 0.0 110.859 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.61 -16.88 37.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.43 -22.46 21.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.733 0.301 . . . . 0.0 110.5 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.407 HG22 ' O ' ' D' ' 29' ' ' VAL . 8.5 tt -92.09 -33.87 5.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.496 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -18.71 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.05 -27.39 13.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.35 40.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 120.648 0.261 . . . . 0.0 110.345 -179.119 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.551 0.215 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.48 -61.95 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -66.43 -33.65 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.013 0.435 . . . . 0.0 110.687 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.58 -47.81 78.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.51 -47.47 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.759 -0.376 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.22 -27.42 67.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.526 0.516 . . . . 0.0 110.437 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.37 -19.28 5.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.93 -22.8 2.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.672 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.7 -22.75 3.72 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.541 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.7 -29.19 7.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -31.95 16.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.428 ' CG2' HG21 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -71.97 -33.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -178.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . 0.485 HG23 ' N ' ' E' ' 26' ' ' PHE . 30.4 m -67.01 -44.22 88.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.444 0.64 . . . . 0.0 110.581 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' PHE . . . . . 0.585 ' O ' HG23 ' E' ' 30' ' ' THR . 6.7 m-85 -71.24 -30.15 65.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.813 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -42.65 98.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.868 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.28 -37.77 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.801 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . 0.41 ' O ' HG22 ' E' ' 33' ' ' ILE . 55.3 t -62.12 -41.62 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.974 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' THR . . . . . 0.585 HG23 ' O ' ' E' ' 26' ' ' PHE . 17.3 p -61.09 -40.88 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.942 0.401 . . . . 0.0 110.813 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 mt -84.67 -19.28 33.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.88 -25.81 24.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.994 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.41 HG22 ' O ' ' E' ' 29' ' ' VAL . 8.6 tt -88.18 -35.54 8.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.076 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -18.74 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -99.11 -27.23 13.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.94 -0.45 39.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 120.691 0.281 . . . . 0.0 110.513 -178.813 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.538 HG22 HG23 ' A' ' 17' ' ' VAL . 33.3 mm . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.525 0.202 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' B' ' 15' ' ' ASN . 35.2 m -55.13 -41.81 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.045 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' N ' HG23 ' A' ' 14' ' ' VAL . 80.2 m-20 -58.79 -59.62 5.14 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.408 0.623 . . . . 0.0 111.153 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.7 p -55.8 -36.77 67.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.504 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.538 HG23 HG22 ' A' ' 13' ' ' ILE . 24.7 t -62.25 -43.05 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -26.93 46.58 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.833 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.496 HD11 ' CE2' ' E' ' 20' ' ' PHE . 10.5 tp -52.56 -23.99 7.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.607 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -59.72 -12.27 6.76 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.453 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.94 -15.05 1.72 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.393 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -53.19 -29.22 30.68 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CE1' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -85.98 -19.75 29.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.696 HG22 HG11 ' B' ' 25' ' ' VAL . 0.3 OUTLIER -55.47 -28.87 23.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.47 0.652 . . . . 0.0 110.941 -179.402 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.684 HG11 HG22 ' E' ' 24' ' ' VAL . 13.9 m -84.04 -34.82 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.116 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.79 -27.09 66.44 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -81.05 -32.89 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 HG12 ' B' ' 25' ' ' VAL . 3.0 tt -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.686 0.755 . . . . 0.0 109.721 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.81 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.35 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.92 -47.23 52.39 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.242 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.68 -34.8 76.3 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.256 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.83 94.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.79 -16.17 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.22 -35.08 11.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 110.458 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.1 -27.78 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.487 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 16.92 9.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 CA--C 1.52 -0.206 0 O-C-N 123.345 0.403 . . . . 0.0 110.488 -179.102 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.555 HG22 HG23 ' B' ' 17' ' ' VAL . 33.1 mm . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.569 0.223 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' C' ' 15' ' ' ASN . 33.9 m -55.72 -41.8 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . 0.504 ' HB2' HG21 ' A' ' 14' ' ' VAL . 80.0 m-20 -58.69 -60.05 4.44 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 111.128 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.41 -36.83 66.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.555 HG23 HG22 ' B' ' 13' ' ' ILE . 24.8 t -62.15 -43.09 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -26.85 46.77 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 20' ' ' PHE . 10.4 tp -52.76 -23.65 7.22 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.591 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' C' ' 19' ' ' LEU . 0.7 OUTLIER -60.15 -11.64 6.62 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.629 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.49 -14.64 2.12 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.421 ' O ' HG22 ' B' ' 25' ' ' VAL . . . -53.58 -29.03 35.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.492 ' CE1' HD23 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -86.02 -19.61 30.08 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.88 0.371 . . . . 0.0 110.419 179.383 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.675 HG22 HG11 ' C' ' 25' ' ' VAL . 0.3 OUTLIER -55.69 -28.76 24.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.467 0.651 . . . . 0.0 110.961 -179.316 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.696 HG11 HG22 ' A' ' 24' ' ' VAL . 13.8 m -84.11 -34.74 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.094 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.88 -27.16 66.43 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.492 HD23 ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -80.84 -33.0 34.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.299 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.427 HD12 HG12 ' C' ' 25' ' ' VAL . 3.0 tt -63.87 -46.42 85.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.723 0.773 . . . . 0.0 109.68 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.79 -34.63 71.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.399 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.82 -47.35 51.45 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.56 -34.79 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.395 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.74 94.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.222 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.67 -34.4 11.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -27.44 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 19.15 7.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.519 -0.216 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.378 -179.236 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.545 HG22 HG23 ' C' ' 17' ' ' VAL . 33.4 mm . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.5 0.19 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.463 HG23 ' N ' ' C' ' 15' ' ' ASN . 36.0 m -55.79 -41.75 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . 0.478 ' HB2' HG21 ' B' ' 14' ' ' VAL . 80.0 m-20 -58.69 -60.19 4.21 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.389 0.614 . . . . 0.0 111.048 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.34 -36.81 66.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.534 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.545 HG23 HG22 ' C' ' 13' ' ' ILE . 24.9 t -62.26 -42.95 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.472 ' HG ' HD12 ' D' ' 19' ' ' LEU . 0.1 OUTLIER -55.72 -26.95 47.88 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.759 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.478 HD11 ' CE2' ' B' ' 20' ' ' PHE . 10.4 tp -52.58 -23.91 7.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.565 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.484 ' CE2' HD11 ' D' ' 19' ' ' LEU . 0.7 OUTLIER -59.99 -11.73 6.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.703 179.357 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.45 -14.65 2.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.421 ' O ' HG22 ' C' ' 25' ' ' VAL . . . -53.48 -29.11 34.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.48 ' CE1' HD23 ' C' ' 27' ' ' LEU . 0.0 OUTLIER -86.0 -19.67 30.02 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.958 0.408 . . . . 0.0 110.441 179.452 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.666 HG22 HG11 ' D' ' 25' ' ' VAL . 0.3 OUTLIER -55.65 -28.73 23.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.424 0.63 . . . . 0.0 110.934 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.675 HG11 HG22 ' B' ' 24' ' ' VAL . 13.7 m -84.09 -34.9 10.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.113 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.8 -27.08 66.43 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' C' ' 23' ' ' PHE . 0.2 OUTLIER -80.97 -32.89 34.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.463 HD12 HG12 ' D' ' 25' ' ' VAL . 3.0 tt -63.89 -46.49 84.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.675 0.75 . . . . 0.0 109.73 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.78 -34.6 71.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.367 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.73 -47.45 50.65 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.294 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.51 -34.88 76.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.351 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.75 94.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.8 -34.31 12.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.428 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.99 -27.46 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.358 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 19.17 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.46 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 53.3 tp . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.749 0.309 . . . . 0.0 110.378 -179.26 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.537 HG22 HG23 ' D' ' 17' ' ' VAL . 33.5 mm . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.637 0.256 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.469 HG23 ' N ' ' D' ' 15' ' ' ASN . 36.0 m -55.26 -41.68 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' ASN . . . . . 0.469 ' N ' HG23 ' D' ' 14' ' ' VAL . 80.1 m-20 -58.89 -59.66 5.1 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 111.084 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 82.4 p -55.81 -36.69 67.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.558 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . 0.537 HG23 HG22 ' D' ' 13' ' ' ILE . 24.9 t -62.25 -43.01 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -26.86 48.34 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.814 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' C' ' 20' ' ' PHE . 10.7 tp -52.67 -23.95 7.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.471 ' CE2' HD11 ' E' ' 19' ' ' LEU . 0.7 OUTLIER -59.7 -12.25 6.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.702 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.83 -15.22 1.78 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.392 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . 0.422 ' O ' HG22 ' D' ' 25' ' ' VAL . . . -53.09 -29.09 28.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.496 ' CE1' HD23 ' D' ' 27' ' ' LEU . 0.0 OUTLIER -86.08 -19.76 29.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.707 HG22 HG11 ' E' ' 25' ' ' VAL . 0.3 OUTLIER -55.46 -28.88 23.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.404 0.621 . . . . 0.0 110.888 -179.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.666 HG11 HG22 ' C' ' 24' ' ' VAL . 13.8 m -84.0 -34.83 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.089 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -67.79 -27.07 66.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' D' ' 23' ' ' PHE . 0.2 OUTLIER -81.04 -32.87 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.43 HD12 HG12 ' E' ' 25' ' ' VAL . 3.0 tt -63.93 -46.39 84.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.625 0.726 . . . . 0.0 109.703 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.88 -34.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.349 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m -49.85 -47.36 51.75 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.274 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.357 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.93 94.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.76 -16.05 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.36 -34.98 11.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.038 0.447 . . . . 0.0 110.493 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.13 -27.76 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.553 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.32 16.74 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.52 -0.198 0 O-C-N 123.318 0.386 . . . . 0.0 110.548 -179.125 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . 0.558 HG22 HG23 ' E' ' 17' ' ' VAL . 32.6 mm . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.725 0.298 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . 0.477 HG23 ' N ' ' E' ' 15' ' ' ASN . 35.5 m -53.6 -41.74 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.211 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' ASN . . . . . 0.477 ' N ' HG23 ' E' ' 14' ' ' VAL . 80.1 m-20 -59.65 -57.93 10.79 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.35 -179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -56.93 -36.61 70.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.558 HG23 HG22 ' E' ' 13' ' ' ILE . 24.8 t -62.27 -43.11 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' LEU . . . . . 0.451 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.57 -27.09 47.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.751 179.659 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' D' ' 20' ' ' PHE . 10.5 tp -52.44 -24.25 7.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CE2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -58.12 -15.09 8.29 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.582 179.141 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp -51.93 -17.66 1.07 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' ALA . . . . . 0.407 ' O ' HG22 ' E' ' 25' ' ' VAL . . . -51.87 -29.32 19.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' PHE . . . . . 0.491 ' CE1' HD23 ' E' ' 27' ' ' LEU . 0.0 OUTLIER -85.86 -20.19 29.47 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.973 0.416 . . . . 0.0 110.484 179.431 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.684 HG22 HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -55.04 -29.04 21.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 110.959 -179.506 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . 0.707 HG11 HG22 ' D' ' 24' ' ' VAL . 13.8 m -83.97 -34.83 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.103 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.8 -27.19 66.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' LEU . . . . . 0.491 HD23 ' CE1' ' E' ' 23' ' ' PHE . 0.2 OUTLIER -80.95 -32.84 34.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.394 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.45 HD12 HG12 ' A' ' 25' ' ' VAL . 3.0 tt -64.02 -46.34 84.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.599 0.714 . . . . 0.0 109.712 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.81 -34.65 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.321 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 11.6 m -49.76 -47.35 50.96 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.67 -34.78 76.26 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.301 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.92 94.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 pt -80.64 -18.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -37.7 8.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 110.353 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.02 -29.49 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.572 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.66 7.1 27.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.651 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 CA--C 1.52 -0.186 0 O-C-N 123.49 0.494 . . . . 0.0 111.127 -177.722 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.708 0.289 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.1 -28.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.01 -52.39 63.29 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.56 . . . . 0.0 110.722 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.76 -41.3 92.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.66 -22.4 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.011 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.0 tm? -72.02 -43.89 64.29 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.658 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -54.81 -18.98 5.47 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.647 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.36 1.41 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.071 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.63 -22.77 0.83 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.944 -0.117 . . . . 0.0 110.967 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.08 71.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.692 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -33.79 65.91 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 110.164 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.644 HG13 HG11 ' B' ' 25' ' ' VAL . 0.4 OUTLIER -79.19 -31.89 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.377 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.666 HG11 HG13 ' E' ' 24' ' ' VAL . 99.2 t -57.91 -49.71 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.543 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 30' ' ' THR . 2.6 m-85 -71.09 -44.07 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.083 0.468 . . . . 0.0 111.09 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.91 69.72 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.355 0.598 . . . . 0.0 111.109 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.542 ' HG ' HG12 ' B' ' 25' ' ' VAL . 2.4 mm? -75.09 -44.86 44.96 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.766 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.473 ' HB ' HD12 ' E' ' 28' ' ' LEU . 0.3 OUTLIER -55.21 -24.42 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.241 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 26' ' ' PHE . 20.2 p -57.2 -45.92 83.35 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.8 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.74 -40.76 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.219 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.94 55.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.401 HD11 HD12 ' E' ' 31' ' ' LEU . 0.4 OUTLIER -71.48 -30.38 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.667 -179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -25.65 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.295 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.2 p -92.33 -27.64 17.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.902 0.382 . . . . 0.0 110.311 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.7 5.23 29.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 110.668 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.642 0.258 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.92 -28.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.151 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -55.08 -52.35 63.5 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.226 0.536 . . . . 0.0 110.693 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.79 -41.27 92.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.625 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.64 -22.42 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.039 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.436 ' C ' HD13 ' B' ' 18' ' ' LEU . 3.0 tm? -72.07 -43.89 64.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.639 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -54.66 -19.04 5.29 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -23.55 1.43 Allowed 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.019 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.45 -22.87 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.933 -0.121 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.05 71.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.647 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -33.84 65.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.655 HG13 HG11 ' C' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.89 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 -179.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.644 HG11 HG13 ' A' ' 24' ' ' VAL . 99.1 t -57.98 -49.75 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.471 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 30' ' ' THR . 2.6 m-85 -71.06 -44.07 66.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 0.0 111.127 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.82 69.58 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.398 0.618 . . . . 0.0 111.202 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.54 ' HG ' HG12 ' C' ' 25' ' ' VAL . 2.4 mm? -75.15 -44.92 44.13 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.761 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -55.26 -24.3 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 119.506 -0.878 . . . . 0.0 110.272 -179.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 26' ' ' PHE . 20.3 p -57.33 -45.77 83.94 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.818 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.72 -40.77 89.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.55 55.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -30.37 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.617 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -25.61 4.64 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.277 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -92.47 -27.47 17.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.911 0.386 . . . . 0.0 110.179 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.04 6.15 26.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.848 0.356 . . . . 0.0 110.529 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.653 0.263 . . . . 0.0 110.643 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.03 -28.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.124 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.02 -52.31 63.55 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.2 0.524 . . . . 0.0 110.734 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.83 -41.3 91.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.72 -22.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.051 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.43 HD13 ' C ' ' C' ' 18' ' ' LEU . 3.0 tm? -72.13 -43.88 64.01 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.689 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.467 ' O ' HD12 ' C' ' 19' ' ' LEU . 0.7 OUTLIER -54.68 -19.02 5.3 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.61 179.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -23.45 1.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.075 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.58 -22.82 0.82 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.002 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.21 -39.15 72.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.603 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -33.92 65.65 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.936 0.398 . . . . 0.0 110.182 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.648 HG13 HG11 ' D' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.92 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.655 HG11 HG13 ' B' ' 24' ' ' VAL . 99.3 t -57.86 -49.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.54 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.444 ' O ' HG23 ' C' ' 30' ' ' THR . 2.6 m-85 -71.06 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 111.128 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.97 69.77 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.336 0.589 . . . . 0.0 111.122 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.533 ' HG ' HG12 ' D' ' 25' ' ' VAL . 2.4 mm? -75.09 -44.87 44.95 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.824 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' B' ' 28' ' ' LEU . 0.3 OUTLIER -55.1 -24.52 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.262 -179.506 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 26' ' ' PHE . 20.1 p -57.15 -45.92 83.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.856 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.7 -40.76 88.97 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.58 55.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -30.32 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.731 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -25.68 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.285 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 22.5 p -92.36 -27.48 17.51 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.09 6.16 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.783 0.325 . . . . 0.0 110.527 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.75 0.31 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.41 HG11 ' CB ' ' E' ' 15' ' ' ASN . 8.7 p -48.13 -28.9 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -55.11 -52.29 63.71 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.18 0.514 . . . . 0.0 110.692 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -65.79 -41.41 91.98 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.64 -22.41 23.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.974 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.425 HD13 ' C ' ' D' ' 18' ' ' LEU . 3.0 tm? -71.94 -43.97 64.37 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.716 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' LEU . . . . . 0.468 ' O ' HD12 ' D' ' 19' ' ' LEU . 0.7 OUTLIER -54.68 -19.05 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.623 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -23.56 1.39 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.034 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.52 -22.88 0.81 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.879 -0.146 . . . . 0.0 110.964 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.13 71.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.669 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -33.83 65.78 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 110.205 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.638 HG13 HG11 ' E' ' 25' ' ' VAL . 0.4 OUTLIER -79.19 -31.95 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 -179.294 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.648 HG11 HG13 ' C' ' 24' ' ' VAL . 99.2 t -57.85 -49.76 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.495 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.45 ' O ' HG23 ' D' ' 30' ' ' THR . 2.6 m-85 -71.12 -43.97 66.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.039 0.447 . . . . 0.0 111.109 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -31.96 69.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.329 0.585 . . . . 0.0 111.099 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.53 ' HG ' HG12 ' E' ' 25' ' ' VAL . 2.4 mm? -75.08 -44.91 44.76 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.761 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' C' ' 28' ' ' LEU . 0.3 OUTLIER -55.18 -24.45 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.251 -179.432 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . 0.45 HG23 ' O ' ' D' ' 26' ' ' PHE . 20.1 p -57.23 -45.84 83.51 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.854 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.78 -40.68 89.08 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.21 -18.88 54.87 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -30.32 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -25.63 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.29 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -27.67 17.35 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.882 0.372 . . . . 0.0 110.194 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 5.21 29.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.988 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.717 0.294 . . . . 0.0 110.606 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.716 0.293 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.41 -28.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.054 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' ASN . . . . . 0.41 ' CB ' HG11 ' D' ' 14' ' ' VAL . 58.4 m-80 -55.04 -52.36 63.41 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.226 0.536 . . . . 0.0 110.738 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.77 -41.35 92.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.72 -22.4 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.948 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' LEU . . . . . 0.42 ' C ' HD13 ' E' ' 18' ' ' LEU . 3.0 tm? -71.98 -43.86 64.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.72 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' LEU . . . . . 0.467 ' O ' HD12 ' E' ' 19' ' ' LEU . 0.7 OUTLIER -54.71 -19.05 5.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.676 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.38 1.41 Allowed 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.028 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.67 -22.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.877 -0.147 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.18 -39.2 72.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.88 65.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.143 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.666 HG13 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.94 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.231 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . 0.638 HG11 HG13 ' D' ' 24' ' ' VAL . 98.9 t -57.96 -49.73 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.467 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' PHE . . . . . 0.443 ' O ' HG23 ' E' ' 30' ' ' THR . 2.6 m-85 -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.047 0.451 . . . . 0.0 111.055 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.93 69.68 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.393 0.616 . . . . 0.0 111.215 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.536 ' HG ' HG12 ' A' ' 25' ' ' VAL . 2.4 mm? -75.15 -44.83 44.68 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.797 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . 0.474 ' HB ' HD12 ' D' ' 28' ' ' LEU . 0.3 OUTLIER -55.23 -24.35 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.215 -179.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' THR . . . . . 0.443 HG23 ' O ' ' E' ' 26' ' ' PHE . 20.2 p -57.22 -45.93 83.39 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.831 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 33' ' ' ILE . 3.5 mm? -59.65 -40.81 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.27 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.61 -20.06 54.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.53 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.838 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.64 -25.67 4.5 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.366 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 22.6 p -92.42 -27.68 17.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.41 . . . . 0.0 110.295 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 1.63 39.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.078 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.338 0.092 0 CA-C-O 120.683 0.277 . . . . 0.0 110.875 -179.385 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.2 m -49.45 -27.97 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -62.68 -57.74 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.321 0.582 . . . . 0.0 110.652 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.76 -27.93 69.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 13' ' ' ILE . 65.2 t -63.86 -42.32 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -71.01 -24.5 62.38 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.415 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' E' ' 18' ' ' LEU . 5.5 tt -51.42 -26.02 7.27 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.022 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.428 ' HD1' ' N ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.16 -9.19 4.36 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.428 ' N ' ' HD1' ' A' ' 20' ' ' PHE . 21.1 tp -53.15 -26.57 17.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 111.631 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.34 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.548 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.08 71.32 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.518 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -73.91 -18.89 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -178.157 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' C ' HD21 ' E' ' 28' ' ' LEU . 0.2 OUTLIER -82.48 -56.48 5.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.304 -179.424 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -43.44 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.504 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.39 98.24 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.289 0.566 . . . . 0.0 110.498 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 24' ' ' VAL . 4.9 mp -63.53 -48.1 78.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' HB3' ' E' ' 28' ' ' LEU . 0.6 OUTLIER -61.39 -31.56 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.473 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.11 79.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.18 -25.66 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.402 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.51 -23.05 27.89 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.749 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.64 -27.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.455 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.17 -31.34 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.43 HG21 ' HB1' ' B' ' 36' ' ' ALA . 5.3 t -98.77 -25.39 14.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.204 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB1' HG21 ' E' ' 35' ' ' THR . . . -62.76 -30.53 71.51 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.626 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 17' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -49.5 -27.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.64 -57.88 9.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.344 0.592 . . . . 0.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -27.9 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.302 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 13' ' ' ILE . 65.1 t -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.507 ' O ' HD12 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -70.98 -24.53 62.41 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.404 HD12 ' CB ' ' A' ' 18' ' ' LEU . 5.5 tt -51.38 -26.11 7.27 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.43 ' HD1' ' N ' ' B' ' 21' ' ' LEU . 0.1 OUTLIER -61.29 -8.82 4.16 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.43 ' N ' ' HD1' ' B' ' 20' ' ' PHE . 21.3 tp -53.55 -26.22 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.547 0.213 . . . . 0.0 111.547 -177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -26.39 61.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.574 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -36.09 71.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.532 ' O ' HD13 ' B' ' 28' ' ' LEU . 0.4 OUTLIER -74.04 -18.6 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -178.133 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.461 ' C ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -82.63 -56.4 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.304 -179.436 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.421 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.05 -43.38 95.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.481 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.13 -41.46 98.27 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.329 0.585 . . . . 0.0 110.476 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.532 HD13 ' O ' ' B' ' 24' ' ' VAL . 4.9 mp -63.52 -48.01 79.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.976 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.429 HG21 ' HB3' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -61.48 -31.5 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.482 179.468 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -42.14 79.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.737 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.31 -25.48 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.89 -22.02 27.7 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.62 -27.0 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.387 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -47.41 -31.17 3.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.423 HG21 ' HB1' ' C' ' 36' ' ' ALA . 5.3 t -98.94 -25.38 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.43 ' HB1' HG21 ' A' ' 35' ' ' THR . . . -62.77 -30.5 71.5 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.657 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.588 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.412 ' O ' HG23 ' C' ' 17' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -49.54 -27.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.63 -57.85 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 0.0 110.628 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -63.65 -27.95 69.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.412 HG23 ' O ' ' C' ' 13' ' ' ILE . 66.5 t -63.86 -42.29 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.495 ' O ' HD12 ' C' ' 18' ' ' LEU . 0.3 OUTLIER -70.95 -24.59 62.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.314 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' B' ' 18' ' ' LEU . 5.5 tt -51.46 -25.98 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.092 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.423 ' HD1' ' N ' ' C' ' 21' ' ' LEU . 0.1 OUTLIER -61.31 -8.82 4.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.423 ' N ' ' HD1' ' C' ' 20' ' ' PHE . 21.3 tp -53.49 -26.39 20.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.573 0.225 . . . . 0.0 111.557 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.32 60.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.546 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -36.14 71.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.532 ' O ' HD13 ' C' ' 28' ' ' LEU . 0.4 OUTLIER -74.03 -18.59 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.886 0.374 . . . . 0.0 110.969 -178.13 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.454 ' C ' HD21 ' B' ' 28' ' ' LEU . 0.2 OUTLIER -82.64 -56.43 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.299 -179.426 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.413 ' HA ' HD21 ' B' ' 28' ' ' LEU . 0.1 OUTLIER -59.89 -43.49 94.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.565 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.08 -41.45 98.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.39 0.614 . . . . 0.0 110.537 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.532 HD13 ' O ' ' C' ' 24' ' ' VAL . 4.9 mp -63.58 -48.02 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -61.39 -31.58 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.515 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -42.06 79.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.727 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.34 -25.46 59.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.353 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.95 -22.08 27.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.59 -27.05 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.37 -31.19 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.456 HG21 ' HB1' ' D' ' 36' ' ' ALA . 5.3 t -98.89 -25.37 14.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.173 179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' B' ' 35' ' ' THR . . . -62.78 -30.44 71.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.636 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.692 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.41 ' O ' HG23 ' D' ' 17' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.975 0.417 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 26.2 m -49.45 -27.98 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -62.72 -57.77 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.323 0.582 . . . . 0.0 110.627 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -63.78 -27.85 69.47 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' D' ' 13' ' ' ILE . 65.1 t -63.87 -42.26 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.499 HD12 ' O ' ' D' ' 18' ' ' LEU . 0.3 OUTLIER -71.03 -24.57 62.39 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.348 179.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.36 -26.03 7.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.432 ' HD1' ' N ' ' D' ' 21' ' ' LEU . 0.1 OUTLIER -61.19 -9.13 4.33 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.432 ' N ' ' HD1' ' D' ' 20' ' ' PHE . 21.2 tp -53.14 -26.58 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.612 0.244 . . . . 0.0 111.61 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.29 -26.35 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.555 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -36.16 71.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.226 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.531 ' O ' HD13 ' D' ' 28' ' ' LEU . 0.4 OUTLIER -73.88 -18.88 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 -178.147 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.451 ' C ' HD21 ' C' ' 28' ' ' LEU . 0.2 OUTLIER -82.45 -56.41 6.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.341 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.434 ' HA ' HD21 ' C' ' 28' ' ' LEU . 0.1 OUTLIER -60.06 -43.35 95.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.477 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.21 -41.44 98.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.286 0.565 . . . . 0.0 110.432 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.531 HD13 ' O ' ' D' ' 24' ' ' VAL . 4.9 mp -63.53 -48.1 78.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.446 HG21 ' HB3' ' C' ' 28' ' ' LEU . 0.6 OUTLIER -61.29 -31.62 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.49 179.491 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.1 79.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.695 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.17 -25.85 59.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.38 -23.07 28.13 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.799 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.5 -27.31 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.497 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.23 -31.23 3.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' THR . . . . . 0.401 HG21 ' HB1' ' E' ' 36' ' ' ALA . 5.2 t -98.83 -25.42 14.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.152 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' C' ' 35' ' ' THR . . . -62.8 -30.5 71.52 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.624 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.638 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . 0.411 ' O ' HG23 ' E' ' 17' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 26.3 m -49.46 -27.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -62.79 -57.52 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.569 . . . . 0.0 110.661 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -63.83 -27.92 69.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.411 HG23 ' O ' ' E' ' 13' ' ' ILE . 66.0 t -63.8 -42.39 95.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' LEU . . . . . 0.506 ' O ' HD12 ' E' ' 18' ' ' LEU . 0.3 OUTLIER -70.99 -24.59 62.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.354 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' D' ' 18' ' ' LEU . 5.5 tt -51.33 -26.26 7.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.206 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.418 ' HD1' ' N ' ' E' ' 21' ' ' LEU . 0.1 OUTLIER -58.97 -12.92 5.15 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.363 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' LEU . . . . . 0.418 ' N ' ' HD1' ' E' ' 20' ' ' PHE . 20.9 tp -51.28 -26.57 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -176.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.5 -26.24 61.0 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.519 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -36.24 71.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.533 ' O ' HD13 ' E' ' 28' ' ' LEU . 0.4 OUTLIER -73.52 -19.68 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.82 0.343 . . . . 0.0 110.783 -178.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . 0.441 ' C ' HD21 ' D' ' 28' ' ' LEU . 0.2 OUTLIER -82.05 -56.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.372 -179.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' PHE . . . . . 0.426 ' HA ' HD21 ' D' ' 28' ' ' LEU . 0.1 OUTLIER -60.05 -43.4 95.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.527 -179.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.4 98.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.301 0.572 . . . . 0.0 110.458 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.533 HD13 ' O ' ' E' ' 24' ' ' VAL . 5.0 mp -63.62 -47.91 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' D' ' 28' ' ' LEU . 0.6 OUTLIER -61.48 -31.47 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 119.874 -0.731 . . . . 0.0 109.386 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -42.06 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.756 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.21 -26.13 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.28 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.17 -26.06 29.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.19 -29.11 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.217 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -46.72 -31.36 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' THR . . . . . 0.425 HG21 ' HB1' ' A' ' 36' ' ' ALA . 5.3 t -98.85 -25.37 14.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.151 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' D' ' 35' ' ' THR . . . -62.77 -30.55 71.54 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.606 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 120.739 0.304 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.549 HG21 ' OG ' ' B' ' 16' ' ' SER . 5.4 t -55.56 -42.85 70.36 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.4 -57.87 10.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 111.424 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.543 ' OG ' HG21 ' E' ' 14' ' ' VAL . 66.9 m -58.62 -34.13 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.092 0.472 . . . . 0.0 109.911 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.64 -21.84 14.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.71 -42.54 86.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.282 0.563 . . . . 0.0 110.612 -179.268 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.59 -14.35 29.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.707 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -17.31 40.18 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.83 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 18' ' ' LEU . 2.8 pp -70.65 -8.13 49.58 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.771 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' E' ' 21' ' ' LEU . . . -82.24 -16.52 49.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.014 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -35.75 65.27 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.25 0.548 . . . . 0.0 110.547 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.481 HG13 HG11 ' B' ' 25' ' ' VAL . 5.9 p -72.59 -25.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.301 0.572 . . . . 0.0 111.133 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG11 HG13 ' E' ' 24' ' ' VAL . 6.4 t -62.01 -54.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.422 0.629 . . . . 0.0 110.613 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -29.84 70.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.88 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -32.3 69.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.164 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD22 HD11 ' E' ' 28' ' ' LEU . 3.3 tt -72.69 -36.49 67.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.988 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.508 ' CG1' HD22 ' E' ' 31' ' ' LEU . 53.3 t -57.07 -50.49 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.59 -43.89 95.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.959 HD23 HD13 ' B' ' 33' ' ' ILE . 2.4 mp -66.36 -27.83 68.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.799 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.58 27.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.931 HD13 HD23 ' E' ' 31' ' ' LEU . 1.8 tp -62.64 -23.28 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.09 -43.18 30.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.838 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.76 -30.02 7.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.865 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.26 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.371 -179.774 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 120.716 0.293 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.508 HG21 ' OG ' ' C' ' 16' ' ' SER . 5.3 t -55.57 -43.04 71.22 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.13 -58.43 8.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.17 0.509 . . . . 0.0 111.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.549 ' OG ' HG21 ' A' ' 14' ' ' VAL . 66.1 m -58.06 -34.27 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.071 0.462 . . . . 0.0 110.031 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.57 -21.89 14.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.608 ' O ' HD23 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -66.84 -42.35 85.93 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.549 -179.212 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.79 -14.01 28.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.652 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -16.85 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.749 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.608 HD23 ' O ' ' B' ' 18' ' ' LEU . 2.8 pp -71.28 -6.82 42.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.727 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.576 ' HB2' ' CB ' ' A' ' 21' ' ' LEU . . . -83.4 -16.38 46.11 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.962 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -35.7 65.01 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.213 0.53 . . . . 0.0 110.567 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.472 HG13 HG11 ' C' ' 25' ' ' VAL . 6.2 p -72.48 -25.57 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.336 0.588 . . . . 0.0 111.176 -178.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.481 HG11 HG13 ' A' ' 24' ' ' VAL . 6.3 t -62.01 -54.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.369 0.604 . . . . 0.0 110.569 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.93 70.83 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.865 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.86 -32.33 69.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.16 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.541 HD11 HD22 ' C' ' 28' ' ' LEU . 3.3 tt -72.7 -36.52 67.85 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.936 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.522 ' CG1' HD22 ' A' ' 31' ' ' LEU . 53.2 t -57.05 -50.5 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.55 -43.98 95.49 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.301 0.572 . . . . 0.0 110.583 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.956 HD23 HD13 ' C' ' 33' ' ' ILE . 2.4 mp -66.4 -27.82 68.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.53 -35.51 27.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.959 HD13 HD23 ' A' ' 31' ' ' LEU . 1.8 tp -62.65 -23.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.949 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 tt -48.09 -42.74 29.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -113.44 -29.84 7.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.35 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.393 -179.792 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.735 0.302 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.542 HG21 ' OG ' ' D' ' 16' ' ' SER . 5.4 t -55.55 -42.88 70.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.27 -58.36 8.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 111.39 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . 0.508 ' OG ' HG21 ' B' ' 14' ' ' VAL . 66.7 m -58.18 -34.17 70.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.047 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.52 -21.97 14.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.603 ' O ' HD23 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -66.79 -42.44 85.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.599 -179.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.77 -13.91 27.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.704 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -16.85 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.735 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.603 HD23 ' O ' ' C' ' 18' ' ' LEU . 2.8 pp -71.29 -6.84 42.88 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.715 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.581 ' HB2' ' CB ' ' B' ' 21' ' ' LEU . . . -83.44 -16.37 46.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.968 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -35.73 65.19 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.281 0.562 . . . . 0.0 110.571 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.454 HG13 HG11 ' D' ' 25' ' ' VAL . 6.2 p -72.52 -25.53 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.576 . . . . 0.0 111.171 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.472 HG11 HG13 ' B' ' 24' ' ' VAL . 6.1 t -62.03 -54.62 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.602 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -29.94 70.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -32.4 69.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.121 -0.631 . . . . 0.0 110.185 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.541 HD22 HD11 ' B' ' 28' ' ' LEU . 3.3 tt -72.77 -36.4 67.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.514 ' CG1' HD22 ' B' ' 31' ' ' LEU . 53.4 t -57.11 -50.57 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.39 -43.92 96.17 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.69 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . 0.945 HD23 HD13 ' D' ' 33' ' ' ILE . 2.4 mp -66.42 -27.85 68.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.792 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.52 -35.52 27.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.956 HD13 HD23 ' B' ' 31' ' ' LEU . 1.8 tp -62.73 -23.35 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.87 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.03 -42.75 29.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -113.49 -29.81 7.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -61.37 -35.52 77.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.736 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 -179.761 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 tt . . . . . 0 CA--C 1.522 -0.114 0 CA-C-O 120.689 0.28 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.552 HG21 ' OG ' ' E' ' 16' ' ' SER . 5.5 t -55.59 -42.9 70.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.37 -57.92 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.109 0.481 . . . . 0.0 111.374 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . 0.542 ' OG ' HG21 ' C' ' 14' ' ' VAL . 67.4 m -58.6 -34.11 70.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.54 -21.98 14.11 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.587 ' O ' HD23 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -66.62 -42.63 86.52 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.612 -179.233 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.57 -14.33 29.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.687 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -17.25 39.56 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.836 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.589 ' CB ' ' HB2' ' E' ' 22' ' ' ALA . 2.8 pp -70.74 -8.07 49.5 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.709 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . 0.575 ' HB2' ' CB ' ' C' ' 21' ' ' LEU . . . -82.2 -16.57 49.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.097 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -35.73 65.2 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.221 0.534 . . . . 0.0 110.585 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.481 HG13 HG11 ' E' ' 25' ' ' VAL . 6.1 p -72.47 -25.49 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.306 0.574 . . . . 0.0 111.169 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.454 HG11 HG13 ' C' ' 24' ' ' VAL . 6.2 t -62.05 -54.55 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.299 0.571 . . . . 0.0 110.632 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.91 70.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.25 69.4 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.154 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.54 HD11 HD22 ' E' ' 28' ' ' LEU . 3.2 tt -72.71 -36.48 67.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.978 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.518 ' CG1' HD22 ' C' ' 31' ' ' LEU . 53.3 t -57.16 -50.37 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.978 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.53 -43.95 95.66 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.239 0.542 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.971 HD23 HD13 ' E' ' 33' ' ' ILE . 2.5 mp -66.35 -27.88 68.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.45 -35.65 27.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.945 HD13 HD23 ' C' ' 31' ' ' LEU . 1.8 tp -62.58 -23.28 32.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.01 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.07 -43.26 30.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -112.88 -30.01 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.831 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -61.24 -35.28 76.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.796 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -179.738 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.7 0.286 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . 0.543 HG21 ' OG ' ' A' ' 16' ' ' SER . 5.6 t -55.54 -42.94 70.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.971 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.71 -57.19 13.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.146 0.498 . . . . 0.0 111.502 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . 0.552 ' OG ' HG21 ' D' ' 14' ' ' VAL . 67.5 m -58.97 -34.17 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.51 -22.0 14.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' LEU . . . . . 0.596 ' O ' HD23 ' E' ' 21' ' ' LEU . 0.2 OUTLIER -66.64 -42.66 86.36 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.586 -179.219 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -60.85 -15.8 34.31 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.638 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -18.37 32.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.592 0.234 . . . . 0.0 111.018 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' LEU . . . . . 0.596 HD23 ' O ' ' E' ' 18' ' ' LEU . 2.7 pp -67.02 -14.32 62.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.549 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 22' ' ' ALA . . . . . 0.589 ' HB2' ' CB ' ' D' ' 21' ' ' LEU . . . -78.65 -16.75 56.95 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.331 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -35.78 65.5 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.254 0.55 . . . . 0.0 110.639 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.486 HG12 ' O ' ' E' ' 21' ' ' LEU . 5.8 p -72.53 -25.48 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.278 0.561 . . . . 0.0 111.131 -178.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . 0.481 HG11 HG13 ' D' ' 24' ' ' VAL . 6.1 t -62.01 -54.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.611 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -29.83 70.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.875 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -32.28 69.4 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.16 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.54 HD22 HD11 ' D' ' 28' ' ' LEU . 3.3 tt -72.78 -36.35 67.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.01 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . 0.519 ' CG1' HD22 ' D' ' 31' ' ' LEU . 53.6 t -57.27 -50.38 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.912 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.52 -43.91 95.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.625 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . 0.931 HD23 HD13 ' A' ' 33' ' ' ILE . 2.4 mp -66.45 -27.86 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.761 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.49 27.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.971 HD13 HD23 ' D' ' 31' ' ' LEU . 1.8 tp -62.71 -23.26 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.989 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -47.91 -44.55 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.719 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 5.6 t -110.7 -30.85 7.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.237 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -61.02 -35.3 76.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 -178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.405 -179.846 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.407 HG22 HG23 ' A' ' 17' ' ' VAL . 11.0 mm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.675 0.274 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.57 -36.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 0.0 110.933 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -55.2 38.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.137 0.494 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 t -59.67 -41.3 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.889 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 13' ' ' ILE . 52.7 t -61.41 -41.13 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.295 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.52 ' HG ' HD23 ' A' ' 21' ' ' LEU . 66.8 tp -54.44 -34.25 61.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -23.19 6.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.648 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -13.69 47.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.635 0.255 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.669 HD11 HD13 ' E' ' 21' ' ' LEU . 0.6 OUTLIER -69.43 -24.31 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.447 -179.066 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' E' ' 21' ' ' LEU . . . -70.25 -44.38 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.424 -178.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.62 -36.24 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.865 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.433 HG22 ' CE2' ' A' ' 23' ' ' PHE . 45.2 t -62.42 -39.31 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.94 -59.72 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -23.49 61.36 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.491 -0.883 . . . . 0.0 110.701 -177.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 23' ' ' PHE . 2.6 tp -63.74 -51.83 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 0.0 110.464 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' CB ' HG22 ' B' ' 29' ' ' VAL . 1.1 pp -53.84 -26.2 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.264 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG22 ' CB ' ' E' ' 28' ' ' LEU . 8.3 t -71.49 -45.08 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.211 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -31.88 68.15 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.076 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -45.76 46.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.28 65.87 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.331 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -66.98 -43.14 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.178 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.02 -20.38 9.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.0 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' HB1' HG21 ' E' ' 35' ' ' THR . . . -89.85 -3.57 58.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.372 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.695 0.283 . . . . 0.0 110.623 -179.535 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.406 HG22 HG23 ' B' ' 17' ' ' VAL . 11.0 mm . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.769 0.319 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.55 -36.39 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.894 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -55.17 38.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 111.222 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.72 -41.33 90.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.876 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.406 HG23 HG22 ' B' ' 13' ' ' ILE . 52.7 t -61.41 -41.04 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.378 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' B' ' 21' ' ' LEU . 66.4 tp -54.53 -34.38 61.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -23.04 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.668 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -12.64 43.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.625 0.25 . . . . 0.0 111.449 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.659 HD13 HD11 ' C' ' 21' ' ' LEU . 0.7 OUTLIER -70.37 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 111.246 -178.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . . . -70.17 -44.38 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.408 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.538 ' CE1' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -50.63 -36.34 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.915 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.434 HG22 ' CE2' ' B' ' 23' ' ' PHE . 44.9 t -62.21 -39.47 84.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.279 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.4 ' HA ' HD23 ' B' ' 28' ' ' LEU . 21.7 t -61.9 -60.0 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.9 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE1' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -58.61 -23.55 59.11 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.687 -177.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' B' ' 23' ' ' PHE . 2.6 tp -63.69 -51.86 63.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.056 0.455 . . . . 0.0 110.475 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.439 ' CB ' HG22 ' C' ' 29' ' ' VAL . 1.1 pp -53.87 -26.23 23.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.24 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' B' ' 28' ' ' LEU . 8.2 t -71.38 -45.18 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.24 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -31.88 68.11 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.168 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.1 -45.87 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -28.41 66.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.366 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mt -66.91 -43.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.13 -19.96 8.9 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.685 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.433 HG21 ' HB1' ' C' ' 36' ' ' ALA . 1.2 p -110.08 -24.89 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.469 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.53 57.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.714 0.292 . . . . 0.0 110.618 -179.522 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.409 HG22 HG23 ' C' ' 17' ' ' VAL . 11.0 mm . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.719 0.295 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.6 -36.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.862 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -55.21 38.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.272 0.558 . . . . 0.0 111.229 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -59.77 -41.31 90.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.83 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.409 HG23 HG22 ' C' ' 13' ' ' ILE . 52.5 t -61.4 -41.08 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.507 ' HG ' HD23 ' C' ' 21' ' ' LEU . 66.6 tp -54.62 -34.2 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -23.04 5.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.566 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -12.69 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.646 0.26 . . . . 0.0 111.494 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.659 HD11 HD13 ' B' ' 21' ' ' LEU . 0.7 OUTLIER -70.32 -24.32 62.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.241 -179.008 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' B' ' 21' ' ' LEU . . . -70.11 -44.39 69.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.543 ' CE1' HD13 ' C' ' 27' ' ' LEU . 0.0 OUTLIER -50.69 -36.3 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.878 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' C' ' 23' ' ' PHE . 45.1 t -62.25 -39.42 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.275 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.88 -60.03 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.915 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.405 ' CE1' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -58.75 -23.39 59.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.727 -177.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' C' ' 23' ' ' PHE . 2.6 tp -63.77 -51.89 62.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 0.0 110.421 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.41 ' CB ' HG22 ' D' ' 29' ' ' VAL . 1.1 pp -53.87 -26.11 23.16 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.269 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' B' ' 28' ' ' LEU . 8.1 t -71.46 -45.2 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.233 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -31.89 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.123 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -45.68 46.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.054 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.34 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.33 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mt -66.97 -43.09 89.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.186 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.1 -19.95 8.72 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.724 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -110.1 -24.95 10.47 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.457 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.433 ' HB1' HG21 ' B' ' 35' ' ' THR . . . -89.88 -3.63 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.288 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.28 . . . . 0.0 110.552 -179.542 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.422 HG22 HG23 ' D' ' 17' ' ' VAL . 10.9 mm . . . . . 0 CA--C 1.53 0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.39 -36.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.931 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -55.18 38.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.167 0.508 . . . . 0.0 111.179 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.73 -41.28 90.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.886 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . 0.422 HG23 HG22 ' D' ' 13' ' ' ILE . 52.6 t -61.51 -41.01 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.311 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' D' ' 21' ' ' LEU . 66.4 tp -54.52 -34.28 61.46 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' C' ' 18' ' ' LEU . 0.5 OUTLIER -52.58 -23.26 6.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.564 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -13.73 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 0.0 111.38 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.644 HD13 HD11 ' E' ' 21' ' ' LEU . 0.6 OUTLIER -69.3 -24.37 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.378 -179.054 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' C' ' 21' ' ' LEU . . . -70.25 -44.35 68.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' D' ' 27' ' ' LEU . 0.0 OUTLIER -50.67 -36.28 34.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.788 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.432 HG22 ' CE2' ' D' ' 23' ' ' PHE . 44.9 t -62.33 -39.45 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.216 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.402 ' HA ' HD23 ' D' ' 28' ' ' LEU . 21.7 t -61.82 -59.85 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -23.45 61.03 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.672 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' D' ' 23' ' ' PHE . 2.6 tp -63.68 -51.9 63.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 110.474 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.404 ' CB ' HG22 ' E' ' 29' ' ' VAL . 1.1 pp -53.9 -26.12 23.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' C' ' 28' ' ' LEU . 8.2 t -71.37 -45.24 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.282 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.98 68.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.176 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -45.77 47.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -28.34 65.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.94 -43.16 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.151 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.94 -20.44 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.618 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.04 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.522 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.44 58.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 0.0 110.605 -179.575 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . 0.42 HG22 HG23 ' E' ' 17' ' ' VAL . 11.0 mm . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -49.27 -36.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.897 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -55.12 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.207 0.527 . . . . 0.0 111.109 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -59.68 -41.35 90.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.9 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.42 HG23 HG22 ' E' ' 13' ' ' ILE . 52.5 t -61.47 -40.99 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' LEU . . . . . 0.529 ' HG ' HD23 ' E' ' 21' ' ' LEU . 66.5 tp -54.56 -34.17 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' D' ' 18' ' ' LEU . 0.5 OUTLIER -52.66 -23.34 6.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.665 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -15.6 56.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -67.98 -24.59 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.523 -178.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' D' ' 21' ' ' LEU . . . -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.426 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' E' ' 27' ' ' LEU . 0.0 OUTLIER -50.52 -36.37 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.874 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.436 HG22 ' CE2' ' E' ' 23' ' ' PHE . 44.5 t -62.26 -39.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.237 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.13 -59.3 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.041 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' PHE . . . . . 0.423 ' CE1' HD23 ' D' ' 27' ' ' LEU . 0.1 OUTLIER -59.29 -23.44 62.43 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.684 -177.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' E' ' 23' ' ' PHE . 2.6 tp -63.61 -51.95 63.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.054 0.454 . . . . 0.0 110.483 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.426 ' CB ' HG22 ' A' ' 29' ' ' VAL . 1.1 pp -53.82 -26.16 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . 0.408 ' N ' ' HG ' ' E' ' 28' ' ' LEU . 8.5 t -71.5 -45.04 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.29 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.39 -31.92 68.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.166 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -45.85 46.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.42 -28.37 66.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.407 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.88 -43.17 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.207 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.82 -21.06 10.04 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.54 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' THR . . . . . 0.402 HG21 ' HB1' ' A' ' 36' ' ' ALA . 1.2 p -108.78 -25.33 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.697 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.76 -3.46 58.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 110.524 -179.584 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.6 t -59.71 -43.82 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.453 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.67 -49.46 76.41 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.289 0.566 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.74 -41.9 82.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.831 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.429 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 54.4 t -70.55 -33.27 52.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.85 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.641 ' O ' HD13 ' B' ' 19' ' ' LEU . 0.4 OUTLIER -54.71 -22.01 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.852 179.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 ' O ' ' E' ' 18' ' ' LEU . 14.2 tp -106.65 0.11 24.13 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.774 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.429 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -53.32 -22.72 7.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.591 179.744 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -55.15 -17.42 4.19 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.972 179.425 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.63 ' N ' HD23 ' A' ' 21' ' ' LEU . . . -49.08 -24.27 1.53 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.236 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -70.8 -33.13 70.4 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.099 0.476 . . . . 0.0 111.196 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.731 HG13 HG11 ' B' ' 25' ' ' VAL . 0.4 OUTLIER -70.51 -29.24 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.526 -178.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.728 HG11 HG13 ' E' ' 24' ' ' VAL . 66.3 t -61.97 -47.64 92.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.424 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.49 -37.63 87.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.773 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.13 76.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.307 0.575 . . . . 0.0 110.486 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -44.16 92.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.107 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -28.57 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.233 0.54 . . . . 0.0 110.018 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -40.96 98.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.485 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.94 -25.27 59.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.634 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 2.3 mt -63.76 -39.13 84.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.29 -37.25 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.35 -18.55 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -77.92 -1.87 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.964 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.272 -179.648 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.183 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.65 -43.93 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.476 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.73 -49.36 76.73 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.296 0.569 . . . . 0.0 110.916 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.62 -41.94 82.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.878 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.413 ' O ' ' HD2' ' B' ' 20' ' ' PHE . 54.2 t -70.49 -32.96 51.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.869 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.62 ' O ' HD13 ' C' ' 19' ' ' LEU . 0.4 OUTLIER -55.4 -20.25 11.57 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.085 179.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.641 HD13 ' O ' ' A' ' 18' ' ' LEU . 14.4 tp -109.05 1.64 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.595 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 0.6 OUTLIER -54.46 -22.37 12.53 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.489 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.635 HD23 ' N ' ' B' ' 22' ' ' ALA . 0.5 OUTLIER -55.34 -17.28 4.51 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.951 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.635 ' N ' HD23 ' B' ' 21' ' ' LEU . . . -49.28 -24.13 1.69 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.263 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' B' ' 24' ' ' VAL . 2.6 p90 -70.85 -33.15 70.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.084 0.469 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.712 HG13 HG11 ' C' ' 25' ' ' VAL . 0.4 OUTLIER -70.6 -29.12 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -178.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.731 HG11 HG13 ' A' ' 24' ' ' VAL . 67.1 t -62.05 -47.63 92.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.48 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.38 -37.71 87.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.914 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.59 -35.03 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.441 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.23 92.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.088 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -28.64 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -46.4 88.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.337 0.589 . . . . 0.0 110.053 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -41.0 98.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.81 -25.39 60.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.463 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.636 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 2.3 mt -63.72 -39.17 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.33 -37.23 16.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.29 -18.66 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.777 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -77.97 -1.84 33.99 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.954 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.946 0.403 . . . . 0.0 110.285 -179.704 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.68 -43.85 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.501 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.69 -49.51 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -57.43 -42.1 81.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.433 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 54.6 t -70.65 -32.85 50.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.642 ' O ' HD13 ' D' ' 19' ' ' LEU . 0.4 OUTLIER -55.33 -20.49 11.71 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.084 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.62 HD13 ' O ' ' B' ' 18' ' ' LEU . 14.3 tp -108.9 1.59 20.89 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.502 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 0.6 OUTLIER -54.51 -22.35 12.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.618 HD23 ' N ' ' C' ' 22' ' ' ALA . 0.5 OUTLIER -55.37 -17.19 4.45 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.849 179.426 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.618 ' N ' HD23 ' C' ' 21' ' ' LEU . . . -49.29 -24.22 1.74 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.261 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' C' ' 24' ' ' VAL . 2.6 p90 -70.75 -33.17 70.53 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.091 0.472 . . . . 0.0 111.237 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.731 HG13 HG11 ' D' ' 25' ' ' VAL . 0.4 OUTLIER -70.57 -29.2 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.577 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . 0.712 HG11 HG13 ' B' ' 24' ' ' VAL . 65.7 t -61.94 -47.65 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.451 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.46 -37.64 87.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.892 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.61 -35.05 76.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.266 0.555 . . . . 0.0 110.428 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -44.2 92.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.109 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -28.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.126 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.359 0.6 . . . . 0.0 110.051 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.91 97.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.85 -25.4 60.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.624 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 2.3 mt -63.75 -39.17 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.38 -37.27 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.27 -18.58 19.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.803 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -77.9 -1.86 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.004 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.812 0.339 . . . . 0.0 110.315 -179.726 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.679 0.276 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.67 -43.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.49 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.71 -49.41 76.55 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.288 0.566 . . . . 0.0 110.918 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.67 -41.96 82.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 54.4 t -70.54 -33.28 52.77 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.832 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.653 ' O ' HD13 ' E' ' 19' ' ' LEU . 0.4 OUTLIER -54.79 -21.91 12.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.427 -0.509 . . . . 0.0 109.85 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' LEU . . . . . 0.642 HD13 ' O ' ' C' ' 18' ' ' LEU . 14.1 tp -106.67 0.08 24.06 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.792 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 0.6 OUTLIER -53.35 -22.8 7.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.487 179.769 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.623 HD23 ' N ' ' D' ' 22' ' ' ALA . 0.5 OUTLIER -55.08 -17.47 4.06 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.95 179.403 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . 0.623 ' N ' HD23 ' D' ' 21' ' ' LEU . . . -48.98 -24.39 1.49 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.399 -0.521 . . . . 0.0 111.254 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . 0.404 ' CG ' ' N ' ' D' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.15 70.53 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.213 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.743 HG13 HG11 ' E' ' 25' ' ' VAL . 0.4 OUTLIER -70.48 -29.18 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.561 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.731 HG11 HG13 ' C' ' 24' ' ' VAL . 66.4 t -61.95 -47.72 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.427 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.45 -37.75 87.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.02 76.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.19 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.081 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -28.49 45.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.207 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -46.49 87.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.225 0.536 . . . . 0.0 110.018 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -41.03 98.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.9 -25.24 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.498 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.628 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 2.3 mt -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.35 -37.25 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.36 -18.49 19.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.783 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -77.97 -1.88 34.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.365 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.128 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.67 -43.8 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.75 -49.31 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.16 0.505 . . . . 0.0 110.931 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.8 -41.97 83.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.788 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 53.9 t -70.36 -33.79 55.48 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.971 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' LEU . . . . . 0.617 ' O ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.54 -26.8 22.7 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' LEU . . . . . 0.653 HD13 ' O ' ' D' ' 18' ' ' LEU . 12.8 tp -96.33 -8.88 31.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.432 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 0.5 OUTLIER -49.56 -23.27 1.56 Allowed 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.151 -0.343 . . . . 0.0 111.083 -176.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' LEU . . . . . 0.635 HD23 ' N ' ' E' ' 22' ' ' ALA . 0.5 OUTLIER -53.91 -19.08 4.02 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.911 179.068 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 22' ' ' ALA . . . . . 0.635 ' N ' HD23 ' E' ' 21' ' ' LEU . . . -48.21 -24.47 1.17 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.324 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' E' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.27 70.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.114 0.483 . . . . 0.0 111.201 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.728 HG13 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -70.43 -29.21 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.587 -178.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . 0.743 HG11 HG13 ' D' ' 24' ' ' VAL . 67.5 t -62.06 -47.67 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.332 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.39 -37.75 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.881 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.52 -35.1 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.288 0.566 . . . . 0.0 110.415 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -44.11 92.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.123 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.139 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.91 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.085 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 -25.3 59.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.421 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.631 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 2.3 mt -63.76 -39.15 84.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.045 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.43 -37.17 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.37 -18.53 19.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.742 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -78.0 -1.83 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.983 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.286 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p 47.12 26.83 0.7 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.967 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.35 -41.37 78.51 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.505 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -85.71 -14.29 45.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.568 0.223 . . . . 0.0 110.919 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.4 -27.86 61.69 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.773 0.32 . . . . 0.0 110.77 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.58 -20.27 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' THR . 35.8 m -49.6 -39.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.397 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . 4.4 m120 -59.38 -59.37 5.55 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.34 0.591 . . . . 0.0 111.399 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -59.83 -36.08 76.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.497 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.77 -46.64 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.211 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.24 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.66 -23.99 13.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.913 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -17.87 4.51 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.6 6.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.78 39.48 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.96 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -31.86 64.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.058 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.56 HG13 HG11 ' B' ' 25' ' ' VAL . 0.5 OUTLIER -64.75 -30.29 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.453 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG11 HG13 ' E' ' 24' ' ' VAL . 39.7 t -68.44 -58.27 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.25 -25.38 61.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.239 0.542 . . . . 0.0 109.824 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tt -70.61 -39.35 73.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.202 0.525 . . . . 0.0 110.205 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -60.31 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.002 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.401 HG13 HD12 ' E' ' 28' ' ' LEU . 34.0 m -69.73 -28.9 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.308 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.93 75.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.22 -40.14 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.981 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.587 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 33.8 mm -84.46 -24.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.01 -29.46 12.52 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.222 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.78 -21.29 13.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.478 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -88.23 -3.99 58.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.613 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.02 -78.07 0.04 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.536 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.452 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p 47.26 26.66 0.73 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.27 -41.05 80.54 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.495 ' O ' HG13 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -86.14 -14.17 44.93 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.889 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.44 -27.94 61.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.736 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.59 -20.17 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.495 HG13 ' O ' ' B' ' 11' ' ' THR . 35.9 m -49.68 -39.22 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.337 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . 0.421 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.4 m120 -59.11 -59.94 4.67 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.371 0.605 . . . . 0.0 111.33 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -59.48 -35.99 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.549 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.84 -46.62 90.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.182 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -56.02 -31.16 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.67 -23.98 13.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.917 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.14 -17.69 4.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.988 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -19.48 6.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.488 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -51.76 40.95 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.893 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.87 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.94 0.4 . . . . 0.0 110.06 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.538 HG13 HG11 ' C' ' 25' ' ' VAL . 0.5 OUTLIER -64.76 -30.33 49.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.56 HG11 HG13 ' A' ' 24' ' ' VAL . 39.5 t -68.42 -58.31 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.27 -25.3 61.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.237 0.541 . . . . 0.0 109.783 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.66 -39.45 73.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.203 0.525 . . . . 0.0 110.174 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -60.29 -47.51 85.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 28' ' ' LEU . 34.0 m -69.63 -28.96 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.386 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -44.89 75.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.28 -40.11 71.12 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.69 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.571 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 33.9 mm -84.56 -24.41 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.03 -29.49 12.77 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.194 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.25 13.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.481 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -88.21 -4.04 58.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.63 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.04 -78.03 0.04 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.475 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p 47.16 26.74 0.7 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.27 -41.05 80.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.501 ' O ' HG13 ' C' ' 14' ' ' VAL . 0.2 OUTLIER -86.12 -14.19 44.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.639 0.257 . . . . 0.0 110.895 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.42 -27.96 61.72 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.78 0.324 . . . . 0.0 110.703 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.56 -20.22 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.501 HG13 ' O ' ' C' ' 11' ' ' THR . 35.8 m -49.62 -39.23 14.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.326 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . 0.42 ' N ' HG23 ' C' ' 14' ' ' VAL . 4.4 m120 -59.16 -59.88 4.75 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.37 0.605 . . . . 0.0 111.37 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.9 m -59.45 -36.09 75.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -58.79 -46.62 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.95 -31.27 62.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.61 -24.1 12.97 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -17.78 4.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.979 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -19.39 6.22 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.519 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.25 -51.71 42.22 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.884 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.81 64.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 110.036 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.555 HG13 HG11 ' D' ' 25' ' ' VAL . 0.5 OUTLIER -64.74 -30.32 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.497 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.538 HG11 HG13 ' B' ' 24' ' ' VAL . 39.6 t -68.44 -58.29 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.23 -25.3 61.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.255 0.55 . . . . 0.0 109.854 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.63 -39.41 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.198 0.523 . . . . 0.0 110.269 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' B' ' 28' ' ' LEU . 0.6 OUTLIER -60.29 -47.43 86.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.071 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.4 HG13 HD12 ' B' ' 28' ' ' LEU . 34.0 m -69.71 -28.89 39.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.339 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.98 76.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.17 -40.12 71.47 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.975 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.64 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.596 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 33.8 mm -84.6 -24.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -29.43 13.39 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.8 -21.26 13.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -88.18 -4.04 58.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.637 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.05 -78.09 0.04 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.905 0.383 . . . . 0.0 110.525 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.47 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p 47.19 26.77 0.72 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.32 -41.4 78.63 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . 0.499 ' O ' HG13 ' D' ' 14' ' ' VAL . 0.2 OUTLIER -85.68 -14.28 45.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.956 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.34 -27.94 61.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.808 0.337 . . . . 0.0 110.815 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.61 -20.18 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.499 HG13 ' O ' ' D' ' 11' ' ' THR . 35.8 m -49.65 -39.18 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.327 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ASN . . . . . 0.41 ' N ' HG23 ' D' ' 14' ' ' VAL . 4.4 m120 -59.3 -59.45 5.44 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 111.411 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -59.77 -36.09 75.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.507 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.73 -46.68 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.214 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.93 -31.31 62.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.55 -24.06 12.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.934 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -17.85 4.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.01 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -19.56 6.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.533 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.11 -51.7 40.87 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -31.89 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.061 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.549 HG13 HG11 ' E' ' 25' ' ' VAL . 0.5 OUTLIER -64.73 -30.29 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.555 HG11 HG13 ' C' ' 24' ' ' VAL . 39.6 t -68.49 -58.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.33 -25.37 61.86 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.267 0.556 . . . . 0.0 109.797 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.62 -39.38 73.78 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.166 0.508 . . . . 0.0 110.239 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' E' ' 28' ' ' LEU . 0.6 OUTLIER -60.31 -47.5 85.75 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.7 -28.86 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.341 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -44.98 76.17 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.24 -40.1 71.24 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.966 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.79 76.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 34.0 mm -84.47 -24.42 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.45 12.8 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.237 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -104.77 -21.34 13.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.452 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -88.19 -3.98 58.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.637 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 68.04 -78.14 0.04 OUTLIER 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.476 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p 47.22 26.67 0.72 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.09 -42.37 77.1 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' THR . . . . . 0.494 ' O ' HG13 ' E' ' 14' ' ' VAL . 0.2 OUTLIER -84.03 -15.02 49.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.657 0.265 . . . . 0.0 111.209 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.23 -27.85 61.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.754 0.312 . . . . 0.0 110.855 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.66 -20.19 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . 0.494 HG13 ' O ' ' E' ' 11' ' ' THR . 35.8 m -49.65 -39.16 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.287 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' ASN . . . . . 0.424 ' N ' HG23 ' E' ' 14' ' ' VAL . 4.3 m120 -59.81 -58.3 9.15 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.303 0.573 . . . . 0.0 111.554 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.2 m -60.43 -36.08 77.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 t -58.83 -46.68 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.167 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.92 -31.24 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.69 -24.01 13.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.882 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -17.93 4.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.043 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.41 -19.91 6.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.501 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.76 38.41 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.917 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -31.86 64.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.076 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.537 HG13 HG11 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -64.78 -30.3 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . 0.549 HG11 HG13 ' D' ' 24' ' ' VAL . 39.5 t -68.39 -58.43 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.11 -25.41 61.33 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.844 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.6 -39.39 73.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.225 0.536 . . . . 0.0 110.226 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' D' ' 28' ' ' LEU . 0.6 OUTLIER -60.37 -47.49 85.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.947 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.63 -28.93 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.406 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.35 -44.78 76.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.33 -40.09 70.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.939 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.05 77.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 34.1 mm -84.05 -24.61 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -29.44 12.51 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.243 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -104.74 -21.37 13.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.501 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -88.19 -4.0 58.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.602 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt 67.98 -78.06 0.04 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.464 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.89 -63.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.447 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.43 -21.63 70.67 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.43 -16.5 56.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.563 0.221 . . . . 0.0 110.683 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.0 mt -79.63 -48.55 13.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.75 0.309 . . . . 0.0 110.831 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -56.22 -20.07 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.71 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.12 -34.31 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.301 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.637 ' HA ' HD23 ' A' ' 18' ' ' LEU . 17.7 m-80 -58.82 -49.14 78.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.299 0.571 . . . . 0.0 110.685 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.12 -30.47 71.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.194 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 98.2 t -68.35 -56.34 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.337 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -52.82 -19.67 2.67 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.655 0.597 . . . . 0.0 111.461 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -24.18 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 16.7 p90 -62.45 -8.22 5.81 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.135 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' B' ' 22' ' ' ALA . 0.2 OUTLIER -56.24 -15.67 4.22 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.184 -0.322 . . . . 0.0 111.234 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.696 ' HB1' HG11 ' E' ' 24' ' ' VAL . . . -86.11 -25.32 25.85 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -42.36 99.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.407 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.688 HG11 ' HB1' ' B' ' 22' ' ' ALA . 17.0 m -62.54 -27.03 42.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.7 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.45 -50.44 51.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.319 0.581 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -33.87 74.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.077 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.45 -44.56 95.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.364 0.602 . . . . 0.0 110.0 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.6 HD22 HD11 ' E' ' 28' ' ' LEU . 3.2 tt -59.43 -36.39 75.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.711 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 33' ' ' ILE . 2.0 t -64.4 -37.69 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.81 -29.77 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.56 . . . . 0.0 110.259 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.52 -45.82 13.14 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.264 -0.575 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.85 90.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.35 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 29' ' ' VAL . 1.7 tt -73.5 -33.03 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.593 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.65 -26.48 3.72 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.83 -30.8 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.458 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.99 86.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.076 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.42 1.49 3.65 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.169 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 117.807 -1.092 . . . . 0.0 110.243 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.92 -63.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.405 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.29 -21.75 70.49 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.37 -16.51 56.13 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.688 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.59 -48.57 13.57 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.836 0.351 . . . . 0.0 110.822 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt -56.21 -20.03 8.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.743 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 t -56.09 -34.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.295 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . 0.645 ' HA ' HD23 ' B' ' 18' ' ' LEU . 17.5 m-80 -58.94 -49.05 79.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.319 0.58 . . . . 0.0 110.608 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -62.14 -30.5 71.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.157 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' B' ' 20' ' ' PHE . 97.8 t -68.39 -56.37 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.234 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' B' ' 15' ' ' ASN . 0.6 OUTLIER -52.77 -19.67 2.63 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.565 0.54 . . . . 0.0 111.472 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -23.86 0.33 Allowed 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.453 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 17.0 p90 -63.13 -7.14 5.09 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.845 -0.161 . . . . 0.0 111.157 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' C' ' 22' ' ' ALA . 0.2 OUTLIER -57.23 -15.19 5.33 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 122.232 -0.292 . . . . 0.0 111.064 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.688 ' HB1' HG11 ' A' ' 24' ' ' VAL . . . -86.47 -25.02 25.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.39 98.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' C' ' 22' ' ' ALA . 16.7 m -62.58 -27.08 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.602 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.39 -50.52 50.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.263 0.554 . . . . 0.0 110.704 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.91 74.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.132 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.52 -44.48 96.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.318 0.58 . . . . 0.0 109.947 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.601 HD11 HD22 ' C' ' 28' ' ' LEU . 3.2 tt -59.38 -36.45 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.733 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.488 ' O ' HG22 ' B' ' 33' ' ' ILE . 2.0 t -64.42 -37.62 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.64 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.66 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 110.315 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -45.84 13.06 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.82 90.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 110.371 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.488 HG22 ' O ' ' B' ' 29' ' ' VAL . 1.7 tt -73.6 -33.06 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.501 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.66 -26.55 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.73 -30.78 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.521 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.97 86.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp 70.48 1.44 3.64 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.121 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.787 -1.102 . . . . 0.0 110.265 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.86 -63.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.416 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -21.73 70.61 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.34 -16.52 56.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.574 0.226 . . . . 0.0 110.706 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 mt -79.72 -48.49 13.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.8 0.334 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt -56.17 -20.1 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.662 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.16 -34.24 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.297 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . 0.641 ' HA ' HD23 ' C' ' 18' ' ' LEU . 17.7 m-80 -58.88 -48.91 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 110.659 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.25 -30.53 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.195 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.457 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 98.2 t -68.4 -56.35 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.292 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.641 HD23 ' HA ' ' C' ' 15' ' ' ASN . 0.6 OUTLIER -52.77 -19.62 2.6 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 123.532 0.52 . . . . 0.0 111.468 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.89 -23.89 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.457 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 16.7 p90 -63.1 -7.12 4.95 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.163 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' D' ' 22' ' ' ALA . 0.2 OUTLIER -57.25 -15.13 5.28 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 122.246 -0.284 . . . . 0.0 111.099 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' B' ' 24' ' ' VAL . . . -86.52 -25.04 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -42.42 98.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.328 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.692 HG11 ' HB1' ' D' ' 22' ' ' ALA . 17.0 m -62.5 -27.08 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.738 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -69.43 -50.52 50.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.734 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -33.8 74.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.137 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.59 -44.39 96.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.039 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.615 HD11 HD22 ' D' ' 28' ' ' LEU . 3.2 tt -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.71 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.482 ' O ' HG22 ' C' ' 33' ' ' ILE . 2.0 t -64.49 -37.61 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -29.76 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.263 0.554 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.44 -45.91 13.12 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.068 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.396 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.482 HG22 ' O ' ' C' ' 29' ' ' VAL . 1.7 tt -73.6 -33.04 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.606 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.69 -26.42 3.73 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.82 -30.79 11.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.017 0.436 . . . . 0.0 110.52 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.96 85.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.111 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.44 1.44 3.63 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.146 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.236 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 7.2 m -157.96 -63.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.42 -21.59 70.61 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.44 -16.47 56.07 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.725 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 mt -79.63 -48.57 13.53 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.731 0.3 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 pt -56.21 -20.05 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 t -56.12 -34.31 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.324 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ASN . . . . . 0.649 ' HA ' HD23 ' D' ' 18' ' ' LEU . 17.8 m-80 -58.83 -49.08 79.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 110.699 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.14 -30.55 71.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.188 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 97.6 t -68.37 -56.36 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.254 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' D' ' 15' ' ' ASN . 0.6 OUTLIER -52.76 -19.62 2.58 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.573 0.546 . . . . 0.0 111.507 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -24.06 0.36 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.088 0.243 . . . . 0.0 111.637 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.453 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 16.9 p90 -62.55 -8.18 5.92 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.141 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' E' ' 22' ' ' ALA . 0.2 OUTLIER -56.29 -15.7 4.36 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.172 -0.33 . . . . 0.0 111.187 -179.474 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . 0.692 ' HB1' HG11 ' C' ' 24' ' ' VAL . . . -86.02 -25.36 26.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -42.42 99.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.68 HG11 ' HB1' ' E' ' 22' ' ' ALA . 16.9 m -62.57 -27.05 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.675 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.51 -50.31 51.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.171 0.51 . . . . 0.0 110.696 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -33.73 74.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.099 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.38 96.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.325 0.583 . . . . 0.0 109.976 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.615 HD22 HD11 ' C' ' 28' ' ' LEU . 3.2 tt -59.45 -36.38 75.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.694 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.476 ' O ' HG22 ' D' ' 33' ' ' ILE . 2.0 t -64.42 -37.67 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.606 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -29.72 70.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.219 0.533 . . . . 0.0 110.238 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.5 -45.89 13.07 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.78 90.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.369 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.476 HG22 ' O ' ' D' ' 29' ' ' VAL . 1.7 tt -73.56 -33.18 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.543 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -26.51 3.56 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -30.81 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.93 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.46 1.46 3.64 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.113 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.829 -1.082 . . . . 0.0 110.186 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -157.89 -63.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.452 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -21.7 70.6 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.44 -16.43 56.15 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.633 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.7 -48.53 13.52 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.785 0.326 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -56.12 -20.09 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -56.1 -34.33 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.251 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' ASN . . . . . 0.658 ' HA ' HD23 ' E' ' 18' ' ' LEU . 17.6 m-80 -58.92 -49.08 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.213 0.53 . . . . 0.0 110.597 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 47.7 t -62.04 -30.6 71.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.446 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 98.2 t -68.35 -56.27 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' E' ' 15' ' ' ASN . 0.6 OUTLIER -52.88 -19.37 2.5 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 123.61 0.569 . . . . 0.0 111.515 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.27 -24.32 0.46 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.587 0.232 . . . . 0.0 111.586 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.446 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 15.5 p90 -59.99 -12.59 8.34 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.088 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -52.62 -17.91 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.152 -0.342 . . . . 0.0 111.623 -179.28 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' ALA . . . . . 0.68 ' HB1' HG11 ' D' ' 24' ' ' VAL . . . -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.835 0.35 . . . . 0.0 110.096 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.61 99.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.383 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.696 HG11 ' HB1' ' A' ' 22' ' ' ALA . 16.9 m -62.56 -26.95 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.662 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -69.51 -50.47 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.205 0.526 . . . . 0.0 110.649 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -33.76 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.128 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.66 -44.34 96.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.315 0.578 . . . . 0.0 110.059 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 28' ' ' LEU . 3.1 tt -59.5 -36.34 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.71 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . 0.49 ' O ' HG22 ' E' ' 33' ' ' ILE . 2.0 t -64.37 -37.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.584 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -29.61 70.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.255 0.55 . . . . 0.0 110.306 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -45.95 13.02 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.087 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.82 90.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.355 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.49 HG22 ' O ' ' E' ' 29' ' ' VAL . 1.7 tt -73.6 -33.04 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.531 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.741 0.305 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.85 -30.89 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.008 0.432 . . . . 0.0 110.428 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.0 86.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.092 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp 70.43 1.51 3.65 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.122 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.869 -1.063 . . . . 0.0 110.244 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.494 1.769 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 76.3 -51.52 0.6 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.359 0.412 . . . . 0.0 110.924 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' O ' HG13 ' A' ' 14' ' ' VAL . . . -59.49 -15.59 32.79 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.477 ' O ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -47.44 -31.15 3.89 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-O 120.807 0.336 . . . . 0.0 111.067 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.5 -31.21 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.659 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.629 HG22 HG23 ' A' ' 17' ' ' VAL . 5.5 mm -70.31 -20.36 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 11' ' ' THR . 17.2 m -48.58 -34.41 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.544 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.55 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.291 0.567 . . . . 0.0 111.039 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -58.29 -36.15 72.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.716 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.629 HG23 HG22 ' A' ' 13' ' ' ILE . 2.7 t -53.74 -48.59 60.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.78 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -60.02 -20.94 60.47 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.601 179.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -17.45 0.39 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD12 HD22 ' B' ' 21' ' ' LEU . 5.8 tt -49.22 -20.14 0.57 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 121.994 0.118 . . . . 0.0 110.98 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -18.4 4.17 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.725 0.297 . . . . 0.0 111.352 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.43 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' B' ' 25' ' ' VAL . 0.9 OUTLIER -69.76 -50.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.56 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG11 ' CG2' ' E' ' 24' ' ' VAL . 0.1 OUTLIER -47.4 -54.5 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.326 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' E' ' 27' ' ' LEU . 10.5 m-85 -64.26 -38.58 91.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.989 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' B' ' 26' ' ' PHE . 13.7 tp -61.12 -41.13 96.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.73 -40.24 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -34.56 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.731 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -56.71 -48.15 78.35 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.361 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' N ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -66.32 -38.93 88.82 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.77 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.504 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.65 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -72.58 -33.1 43.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.611 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.45 -32.32 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.566 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.85 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -64.45 -21.15 66.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 73.83 0.83 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.436 0.636 . . . . 0.0 110.377 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.251 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 76.21 -51.44 0.6 Allowed 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.378 0.424 . . . . 0.0 110.94 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.456 ' O ' HG13 ' B' ' 14' ' ' VAL . . . -59.71 -15.31 33.24 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.477 ' O ' HG22 ' B' ' 14' ' ' VAL . 0.9 OUTLIER -47.61 -31.04 4.11 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.804 0.335 . . . . 0.0 111.051 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.68 -31.12 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.636 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.62 HG22 HG23 ' B' ' 17' ' ' VAL . 5.5 mm -70.32 -20.43 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.974 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 11' ' ' THR . 17.2 m -48.46 -34.47 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.538 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.42 -59.62 4.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.239 0.543 . . . . 0.0 111.067 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.35 -36.25 73.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.639 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.62 HG23 HG22 ' B' ' 13' ' ' ILE . 2.7 t -53.76 -48.56 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.779 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.15 -28.82 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.665 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.484 ' O ' HD12 ' B' ' 19' ' ' LEU . 0.1 OUTLIER -59.91 -21.06 60.59 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.595 179.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -17.53 0.4 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 21' ' ' LEU . 5.8 tt -49.14 -20.13 0.54 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 122.044 0.138 . . . . 0.0 110.962 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.45 -18.21 3.99 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 111.394 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -28.35 19.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.437 ' CG2' HG11 ' C' ' 25' ' ' VAL . 0.9 OUTLIER -69.81 -50.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -47.42 -54.56 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.282 -179.465 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.456 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 10.5 m-85 -64.19 -38.59 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.972 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.445 HD21 ' CZ ' ' C' ' 26' ' ' PHE . 13.7 tp -61.08 -41.12 96.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.527 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.14 94.73 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.47 -34.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.683 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.422 HG22 ' N ' ' B' ' 31' ' ' LEU . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.062 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.422 ' N ' HG22 ' B' ' 30' ' ' THR . 0.1 OUTLIER -66.23 -39.04 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.32 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.63 -24.81 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.507 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.659 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 0.1 OUTLIER -72.52 -33.12 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.633 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.49 -32.24 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.534 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.78 -30.84 10.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.366 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -64.48 -21.12 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.81 73.9 0.84 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.412 0.625 . . . . 0.0 110.368 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.21 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 76.19 -51.43 0.61 Allowed 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.334 0.396 . . . . 0.0 110.918 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . 0.459 ' O ' HG13 ' C' ' 14' ' ' VAL . . . -59.65 -15.33 32.89 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.478 ' O ' HG22 ' C' ' 14' ' ' VAL . 0.9 OUTLIER -47.66 -30.99 4.17 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-O 120.782 0.325 . . . . 0.0 111.056 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -31.06 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.634 HG22 HG23 ' C' ' 17' ' ' VAL . 5.5 mm -70.36 -20.41 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.959 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.478 HG22 ' O ' ' C' ' 11' ' ' THR . 17.2 m -48.41 -34.5 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.564 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.45 -59.74 4.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.279 0.562 . . . . 0.0 110.981 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -58.23 -36.23 72.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.646 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.634 HG23 HG22 ' C' ' 13' ' ' ILE . 2.7 t -53.71 -48.59 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.804 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.19 -28.8 69.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.487 ' O ' HD12 ' C' ' 19' ' ' LEU . 0.1 OUTLIER -59.94 -21.05 60.65 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.503 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -17.55 0.4 Allowed 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.52 HD22 HD12 ' B' ' 21' ' ' LEU . 5.8 tt -49.11 -20.08 0.52 Allowed 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.508 -0.12 . . . . 0.0 110.991 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -18.16 3.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.669 0.271 . . . . 0.0 111.334 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -28.29 19.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.447 ' CG2' HG11 ' D' ' 25' ' ' VAL . 0.9 OUTLIER -69.87 -50.65 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.521 179.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.447 ' N ' HG12 ' C' ' 24' ' ' VAL . 0.1 OUTLIER -47.3 -54.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.366 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' B' ' 27' ' ' LEU . 10.5 m-85 -64.22 -38.52 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.013 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' D' ' 26' ' ' PHE . 13.7 tp -61.14 -41.14 96.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.471 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.77 -40.25 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -34.46 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.7 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . 0.416 HG22 ' N ' ' C' ' 31' ' ' LEU . 0.8 OUTLIER -56.73 -48.15 78.4 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.001 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . 0.416 ' N ' HG22 ' C' ' 30' ' ' THR . 0.1 OUTLIER -66.22 -39.01 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.83 63.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.484 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.649 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 0.1 OUTLIER -72.5 -33.1 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.633 -179.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.5 -32.26 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.75 -30.83 10.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.406 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -64.49 -21.14 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.765 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 73.84 0.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.428 0.633 . . . . 0.0 110.375 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.23 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.495 1.795 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 76.25 -51.4 0.6 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.431 0.457 . . . . 0.0 110.954 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . 0.447 ' O ' HG13 ' D' ' 14' ' ' VAL . . . -59.66 -15.51 33.7 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . 0.487 ' O ' HG22 ' D' ' 14' ' ' VAL . 0.9 OUTLIER -47.49 -31.1 3.93 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-O 120.827 0.346 . . . . 0.0 111.051 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.56 -31.17 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.642 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.63 HG22 HG23 ' D' ' 17' ' ' VAL . 5.5 mm -70.33 -20.37 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.487 HG22 ' O ' ' D' ' 11' ' ' THR . 17.3 m -48.61 -34.31 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.587 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.6 -59.59 4.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.341 0.591 . . . . 0.0 111.033 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 75.5 m -58.27 -36.22 72.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.721 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . 0.63 HG23 HG22 ' D' ' 13' ' ' ILE . 2.7 t -53.68 -48.6 59.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.808 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.19 -28.8 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . 0.482 ' O ' HD12 ' D' ' 19' ' ' LEU . 0.1 OUTLIER -59.98 -20.96 60.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.583 179.543 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -17.44 0.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.515 HD22 HD12 ' C' ' 21' ' ' LEU . 5.8 tt -49.22 -20.1 0.57 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.356 0.122 . . . . 0.0 110.978 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.41 -18.42 4.16 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 111.312 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -28.48 20.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.44 HG12 ' N ' ' D' ' 25' ' ' VAL . 0.9 OUTLIER -69.8 -50.64 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.556 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' C' ' 24' ' ' VAL . 0.1 OUTLIER -47.35 -54.6 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.285 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' C' ' 27' ' ' LEU . 10.6 m-85 -64.22 -38.56 91.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.442 HD21 ' CZ ' ' E' ' 26' ' ' PHE . 13.8 tp -61.15 -41.08 96.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.81 -40.21 94.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -34.57 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.645 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . 0.415 HG22 ' N ' ' D' ' 31' ' ' LEU . 0.8 OUTLIER -56.7 -48.12 78.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.037 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.415 ' N ' HG22 ' D' ' 30' ' ' THR . 0.1 OUTLIER -66.24 -39.05 89.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.331 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -24.73 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.526 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.649 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 0.1 OUTLIER -72.52 -33.2 44.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 -179.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.44 -32.29 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.554 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -103.71 -30.87 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -64.38 -21.25 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.81 73.86 0.84 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.382 0.611 . . . . 0.0 110.36 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.189 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 76.39 -51.49 0.6 Allowed 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.334 0.396 . . . . 0.0 110.977 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . 0.447 ' O ' HG13 ' E' ' 14' ' ' VAL . . . -58.87 -16.85 33.28 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' THR . . . . . 0.49 ' O ' HG22 ' E' ' 14' ' ' VAL . 0.9 OUTLIER -46.76 -31.57 3.07 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.757 0.313 . . . . 0.0 111.078 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.99 -31.47 20.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . 0.623 HG22 HG23 ' E' ' 17' ' ' VAL . 5.6 mm -70.18 -20.3 22.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . 0.49 HG22 ' O ' ' E' ' 11' ' ' THR . 17.3 m -48.69 -34.23 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.506 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -64.18 -58.4 6.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.167 0.508 . . . . 0.0 111.214 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -59.0 -36.15 74.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.616 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.623 HG23 HG22 ' E' ' 13' ' ' ILE . 2.7 t -53.71 -48.71 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.73 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.09 -28.85 70.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' LEU . . . . . 0.491 ' O ' HD12 ' E' ' 19' ' ' LEU . 0.1 OUTLIER -59.98 -20.92 60.29 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.636 179.568 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -17.78 0.41 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' LEU . . . . . 0.514 HD22 HD12 ' D' ' 21' ' ' LEU . 5.8 tt -48.9 -20.44 0.5 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.057 0.143 . . . . 0.0 110.959 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -18.98 4.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.769 0.319 . . . . 0.0 111.289 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -28.93 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.443 ' CG2' HG11 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -69.61 -50.69 48.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . 0.437 ' N ' HG12 ' E' ' 24' ' ' VAL . 0.1 OUTLIER -47.32 -54.55 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.299 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' PHE . . . . . 0.442 ' CZ ' HD21 ' D' ' 27' ' ' LEU . 10.5 m-85 -64.25 -38.56 91.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 13.7 tp -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.491 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.79 -40.2 94.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -34.44 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.721 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 31' ' ' LEU . 0.8 OUTLIER -56.77 -48.16 78.49 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.003 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . 0.423 ' N ' HG22 ' E' ' 30' ' ' THR . 0.1 OUTLIER -66.22 -39.0 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.72 -24.73 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.492 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.634 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 0.1 OUTLIER -72.48 -33.26 44.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.63 -179.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -47.4 -32.28 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.58 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -103.7 -30.89 10.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -64.39 -21.22 66.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.77 73.85 0.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.425 0.631 . . . . 0.0 110.341 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.243 179.867 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.12 134.72 22.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.65 -22.8 76.84 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.3 p -69.55 -12.71 61.87 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.175 -0.21 . . . . 0.0 110.803 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -24.64 27.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.813 0.339 . . . . 0.0 110.403 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp -68.11 -28.96 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.983 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.9 t -52.94 -64.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.06 0.457 . . . . 0.0 110.549 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -64.9 -33.78 76.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.47 -47.81 78.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.45 -47.46 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.31 -27.36 67.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.477 0.486 . . . . 0.0 110.469 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.22 5.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.92 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.0 -22.8 2.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.6 0.238 . . . . 0.0 110.627 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.74 -22.77 3.81 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.524 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.74 -28.06 5.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.671 0.272 . . . . 0.0 110.748 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.22 -31.08 15.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.42 ' CG2' HG21 ' B' ' 25' ' ' VAL . 0.5 OUTLIER -72.09 -32.93 45.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 0.0 111.058 -179.164 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 26' ' ' PHE . 29.9 m -67.11 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.466 0.65 . . . . 0.0 110.611 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 30' ' ' THR . 6.6 m-85 -71.27 -30.09 65.86 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.779 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.68 98.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.088 0.47 . . . . 0.0 109.844 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.16 -37.88 81.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.853 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 33' ' ' ILE . 55.1 t -61.92 -41.79 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 26' ' ' PHE . 17.1 p -61.05 -40.59 94.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.67 -16.94 37.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.765 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.34 -22.49 21.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.467 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 29' ' ' VAL . 8.5 tt -92.08 -33.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.824 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.16 -27.33 13.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.69 1.3 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.87 -38.26 64.55 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.499 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.04 134.73 22.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.408 ' O ' HG22 ' B' ' 13' ' ' ILE . . . -69.7 -22.75 76.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.3 p -69.7 -12.6 61.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.558 0.218 . . . . 0.0 110.781 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.22 -24.69 28.77 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.774 0.321 . . . . 0.0 110.386 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.408 HG22 ' O ' ' B' ' 10' ' ' GLY . 9.4 tp -67.89 -29.16 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.891 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.1 t -52.65 -65.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.484 . . . . 0.0 110.498 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -64.05 -33.89 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 37.3 t -56.45 -47.88 78.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.41 -47.43 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.32 -27.36 67.27 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 123.564 0.54 . . . . 0.0 110.435 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.48 -19.1 5.11 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.12 -22.74 2.67 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.624 0.25 . . . . 0.0 110.629 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.76 -22.73 3.82 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.5 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.79 -27.72 5.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.696 0.284 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.75 -30.93 15.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.513 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' C' ' 25' ' ' VAL . 0.5 OUTLIER -72.13 -32.88 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.007 0.432 . . . . 0.0 111.012 -179.215 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 26' ' ' PHE . 29.5 m -67.1 -44.23 88.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.501 0.667 . . . . 0.0 110.617 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.593 ' O ' HG23 ' B' ' 30' ' ' THR . 6.6 m-85 -71.31 -30.0 65.71 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.815 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -42.66 98.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.149 0.5 . . . . 0.0 109.871 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.25 -37.81 81.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.832 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.415 ' O ' HG22 ' B' ' 33' ' ' ILE . 55.2 t -61.89 -41.94 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 26' ' ' PHE . 16.9 p -60.89 -40.6 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.9 -16.16 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.758 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 -21.24 21.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.759 0.314 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.421 HD13 HG21 ' B' ' 33' ' ' ILE . 8.4 tt -93.41 -33.52 5.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.425 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.59 65.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.775 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.49 13.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.51 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.04 -38.24 64.98 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.361 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.503 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.05 134.76 22.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.77 -22.7 76.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -69.68 -12.65 61.8 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.159 -0.217 . . . . 0.0 110.796 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.13 -24.71 27.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp -67.95 -29.15 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.009 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.59 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.537 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.09 -33.95 76.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.811 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.34 -47.9 77.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.53 -47.35 93.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.34 -27.35 67.3 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.498 0.498 . . . . 0.0 110.466 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.42 -19.16 5.09 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.93 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -51.05 -22.74 2.55 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.582 0.23 . . . . 0.0 110.662 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.76 -22.71 3.81 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.568 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.76 -27.77 5.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -30.95 15.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' D' ' 25' ' ' VAL . 0.5 OUTLIER -72.17 -32.92 44.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 0.0 111.032 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.471 HG23 ' N ' ' C' ' 26' ' ' PHE . 29.7 m -67.1 -44.19 88.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.469 0.652 . . . . 0.0 110.623 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.584 ' O ' HG23 ' C' ' 30' ' ' THR . 6.7 m-85 -71.28 -30.07 65.83 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.828 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -42.62 98.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.26 -37.82 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.866 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.402 ' O ' HG22 ' C' ' 33' ' ' ILE . 55.3 t -61.94 -41.86 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.958 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . 0.584 HG23 ' O ' ' C' ' 26' ' ' PHE . 16.9 p -60.94 -40.58 93.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 110.89 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.97 -16.06 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.57 -21.23 20.95 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.723 0.297 . . . . 0.0 110.471 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.402 HG22 ' O ' ' C' ' 29' ' ' VAL . 8.4 tt -93.37 -33.53 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.382 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -18.61 65.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.754 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.09 -27.41 13.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.868 0.366 . . . . 0.0 110.702 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.65 1.68 40.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.31 -38.21 65.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.669 0.271 . . . . 0.0 110.326 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.548 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.08 134.7 22.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . 0.407 ' O ' HG22 ' D' ' 13' ' ' ILE . . . -69.71 -22.7 76.88 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 77.9 p -69.63 -12.7 61.85 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.731 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -24.69 27.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.748 0.309 . . . . 0.0 110.4 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.407 HG22 ' O ' ' D' ' 10' ' ' GLY . 9.4 tp -68.02 -28.97 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.969 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -52.98 -64.85 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.13 0.491 . . . . 0.0 110.535 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.49 -47.91 78.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.46 -47.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.39 -27.36 67.37 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.521 0.513 . . . . 0.0 110.383 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.38 -19.24 5.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.924 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.91 -22.88 2.45 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.642 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.71 -22.73 3.73 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.524 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.71 -28.11 5.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.653 0.263 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.23 -31.04 15.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.595 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.434 ' CG2' HG21 ' E' ' 25' ' ' VAL . 0.5 OUTLIER -72.22 -32.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 111.024 -179.097 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.479 HG23 ' N ' ' D' ' 26' ' ' PHE . 30.0 m -67.12 -44.07 88.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.47 0.652 . . . . 0.0 110.649 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.591 ' O ' HG23 ' D' ' 30' ' ' THR . 6.6 m-85 -71.35 -30.11 65.79 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.773 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -42.68 98.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.139 0.495 . . . . 0.0 109.866 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.24 -37.88 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.794 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.407 ' O ' HG22 ' D' ' 33' ' ' ILE . 55.1 t -61.92 -41.82 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . 0.591 HG23 ' O ' ' D' ' 26' ' ' PHE . 17.1 p -61.03 -40.66 94.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.993 0.425 . . . . 0.0 110.859 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.61 -16.88 37.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.43 -22.46 21.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.733 0.301 . . . . 0.0 110.5 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.407 HG22 ' O ' ' D' ' 29' ' ' VAL . 8.5 tt -92.09 -33.87 5.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.496 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -18.71 65.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.823 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 15.2 t -99.05 -27.39 13.87 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.58 1.35 40.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.0 -38.17 64.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.648 0.261 . . . . 0.0 110.345 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.469 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.17 134.67 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.68 -22.77 76.86 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 79.8 p -69.54 -12.75 61.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.545 0.212 . . . . 0.0 110.818 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -24.62 27.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.416 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 9.4 tp -68.16 -28.74 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.48 -61.95 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -66.43 -33.65 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.013 0.435 . . . . 0.0 110.687 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -56.58 -47.81 78.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.51 -47.47 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 120.759 -0.376 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.22 -27.42 67.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.526 0.516 . . . . 0.0 110.437 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.37 -19.28 5.22 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.93 -22.8 2.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.672 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.7 -22.75 3.72 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.541 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.7 -29.19 7.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -31.95 16.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.428 ' CG2' HG21 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -71.97 -33.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -178.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . 0.485 HG23 ' N ' ' E' ' 26' ' ' PHE . 30.4 m -67.01 -44.22 88.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.444 0.64 . . . . 0.0 110.581 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' PHE . . . . . 0.585 ' O ' HG23 ' E' ' 30' ' ' THR . 6.7 m-85 -71.24 -30.15 65.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.813 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -42.65 98.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.868 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.28 -37.77 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.801 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . 0.41 ' O ' HG22 ' E' ' 33' ' ' ILE . 55.3 t -62.12 -41.62 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.974 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' THR . . . . . 0.585 HG23 ' O ' ' E' ' 26' ' ' PHE . 17.3 p -61.09 -40.88 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.942 0.401 . . . . 0.0 110.813 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 mt -84.67 -19.28 33.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.814 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.88 -25.81 24.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.994 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.41 HG22 ' O ' ' E' ' 29' ' ' VAL . 8.6 tt -88.18 -35.54 8.2 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.076 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -18.74 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -99.11 -27.23 13.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.94 -0.45 39.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt -52.87 -38.43 61.57 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 120.691 0.281 . . . . 0.0 110.513 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.518 179.838 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 51.5 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -17.77 65.16 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.547 ' O ' HG22 ' A' ' 14' ' ' VAL . 91.8 m -57.48 -32.22 66.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.559 0.218 . . . . 0.0 110.717 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -89.95 -17.96 26.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.538 HG22 HG23 ' A' ' 17' ' ' VAL . 33.3 mm -79.35 -13.42 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.858 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 11' ' ' THR . 35.2 m -55.13 -41.81 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.045 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' N ' HG23 ' A' ' 14' ' ' VAL . 80.2 m-20 -58.79 -59.62 5.14 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.408 0.623 . . . . 0.0 111.153 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.7 p -55.8 -36.77 67.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.504 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.538 HG23 HG22 ' A' ' 13' ' ' ILE . 24.7 t -62.25 -43.05 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -26.93 46.58 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.833 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.496 HD11 ' CE2' ' E' ' 20' ' ' PHE . 10.5 tp -52.56 -23.99 7.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.607 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -59.72 -12.27 6.76 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.453 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.94 -15.05 1.72 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.393 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -53.19 -29.22 30.68 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CE1' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -85.98 -19.75 29.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.932 0.396 . . . . 0.0 110.474 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.696 HG22 HG11 ' B' ' 25' ' ' VAL . 0.3 OUTLIER -55.47 -28.87 23.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-O 121.47 0.652 . . . . 0.0 110.941 -179.402 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.684 HG11 HG22 ' E' ' 24' ' ' VAL . 13.9 m -84.04 -34.82 10.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.116 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.79 -27.09 66.44 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -81.05 -32.89 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 HG12 ' B' ' 25' ' ' VAL . 3.0 tt -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.686 0.755 . . . . 0.0 109.721 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.81 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.35 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.92 -47.23 52.39 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.242 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.68 -34.8 76.3 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.256 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.83 94.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.79 -16.17 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.22 -35.08 11.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 110.458 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.1 -27.78 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.487 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 16.92 9.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -45.46 -40.16 7.98 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.345 0.403 . . . . 0.0 110.488 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.465 179.708 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.57 51.63 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.0 -17.57 65.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.544 ' O ' HG22 ' B' ' 14' ' ' VAL . 91.0 m -57.63 -31.84 66.67 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 120.577 0.227 . . . . 0.0 110.738 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -90.45 -17.71 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.555 HG22 HG23 ' B' ' 17' ' ' VAL . 33.1 mm -79.65 -12.74 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.967 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 11' ' ' THR . 33.9 m -55.72 -41.8 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . 0.504 ' HB2' HG21 ' A' ' 14' ' ' VAL . 80.0 m-20 -58.69 -60.05 4.44 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 111.128 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.41 -36.83 66.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.555 HG23 HG22 ' B' ' 13' ' ' ILE . 24.8 t -62.15 -43.09 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -26.85 46.77 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.819 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 20' ' ' PHE . 10.4 tp -52.76 -23.65 7.22 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.591 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' C' ' 19' ' ' LEU . 0.7 OUTLIER -60.15 -11.64 6.62 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.629 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.49 -14.64 2.12 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.421 ' O ' HG22 ' B' ' 25' ' ' VAL . . . -53.58 -29.03 35.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.492 ' CE1' HD23 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -86.02 -19.61 30.08 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.88 0.371 . . . . 0.0 110.419 179.383 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.675 HG22 HG11 ' C' ' 25' ' ' VAL . 0.3 OUTLIER -55.69 -28.76 24.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.467 0.651 . . . . 0.0 110.961 -179.316 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.696 HG11 HG22 ' A' ' 24' ' ' VAL . 13.8 m -84.11 -34.74 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.094 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.88 -27.16 66.43 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.492 HD23 ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -80.84 -33.0 34.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.299 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.427 HD12 HG12 ' C' ' 25' ' ' VAL . 3.0 tt -63.87 -46.42 85.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.723 0.773 . . . . 0.0 109.68 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.79 -34.63 71.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.399 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.82 -47.35 51.45 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.245 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.56 -34.79 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.395 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.74 94.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.222 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.67 -34.4 11.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -27.44 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.38 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.16 19.15 7.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.489 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 tp -47.53 -39.55 16.57 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.378 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.514 179.688 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.58 51.57 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.84 -17.74 65.53 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.538 ' O ' HG22 ' C' ' 14' ' ' VAL . 91.6 m -57.5 -31.94 66.53 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-O 120.552 0.215 . . . . 0.0 110.769 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -90.34 -17.61 27.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.545 HG22 HG23 ' C' ' 17' ' ' VAL . 33.4 mm -79.88 -12.57 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.829 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.538 HG22 ' O ' ' C' ' 11' ' ' THR . 36.0 m -55.79 -41.75 67.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . 0.478 ' HB2' HG21 ' B' ' 14' ' ' VAL . 80.0 m-20 -58.69 -60.19 4.21 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.389 0.614 . . . . 0.0 111.048 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 82.3 p -55.34 -36.81 66.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.534 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.545 HG23 HG22 ' C' ' 13' ' ' ILE . 24.9 t -62.26 -42.95 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.472 ' HG ' HD12 ' D' ' 19' ' ' LEU . 0.1 OUTLIER -55.72 -26.95 47.88 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.759 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.478 HD11 ' CE2' ' B' ' 20' ' ' PHE . 10.4 tp -52.58 -23.91 7.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.565 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.484 ' CE2' HD11 ' D' ' 19' ' ' LEU . 0.7 OUTLIER -59.99 -11.73 6.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.703 179.357 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.45 -14.65 2.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.421 ' O ' HG22 ' C' ' 25' ' ' VAL . . . -53.48 -29.11 34.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.48 ' CE1' HD23 ' C' ' 27' ' ' LEU . 0.0 OUTLIER -86.0 -19.67 30.02 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.958 0.408 . . . . 0.0 110.441 179.452 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.666 HG22 HG11 ' D' ' 25' ' ' VAL . 0.3 OUTLIER -55.65 -28.73 23.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.424 0.63 . . . . 0.0 110.934 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.675 HG11 HG22 ' B' ' 24' ' ' VAL . 13.7 m -84.09 -34.9 10.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.113 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.8 -27.08 66.43 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' C' ' 23' ' ' PHE . 0.2 OUTLIER -80.97 -32.89 34.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.463 HD12 HG12 ' D' ' 25' ' ' VAL . 3.0 tt -63.89 -46.49 84.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.675 0.75 . . . . 0.0 109.73 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.78 -34.6 71.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.367 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -49.73 -47.45 50.65 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.294 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.51 -34.88 76.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.351 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.75 94.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 pt -82.03 -15.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.8 -34.31 12.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.428 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.99 -27.46 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.358 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 19.17 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.46 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 53.3 tp -47.42 -39.59 15.87 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 120.749 0.309 . . . . 0.0 110.378 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.506 179.715 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 51.55 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.67 -17.79 65.2 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . 0.532 ' O ' HG22 ' D' ' 14' ' ' VAL . 91.1 m -57.49 -32.21 66.77 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.532 0.206 . . . . 0.0 110.71 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.86 -17.88 27.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.537 HG22 HG23 ' D' ' 17' ' ' VAL . 33.5 mm -79.45 -13.27 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.951 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.532 HG22 ' O ' ' D' ' 11' ' ' THR . 36.0 m -55.26 -41.68 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ASN . . . . . 0.469 ' N ' HG23 ' D' ' 14' ' ' VAL . 80.1 m-20 -58.89 -59.66 5.1 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 111.084 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 82.4 p -55.81 -36.69 67.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.558 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . 0.537 HG23 HG22 ' D' ' 13' ' ' ILE . 24.9 t -62.25 -43.01 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -26.86 48.34 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.814 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' C' ' 20' ' ' PHE . 10.7 tp -52.67 -23.95 7.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.471 ' CE2' HD11 ' E' ' 19' ' ' LEU . 0.7 OUTLIER -59.7 -12.25 6.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.702 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.83 -15.22 1.78 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.392 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . 0.422 ' O ' HG22 ' D' ' 25' ' ' VAL . . . -53.09 -29.09 28.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.496 ' CE1' HD23 ' D' ' 27' ' ' LEU . 0.0 OUTLIER -86.08 -19.76 29.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.42 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.707 HG22 HG11 ' E' ' 25' ' ' VAL . 0.3 OUTLIER -55.46 -28.88 23.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.404 0.621 . . . . 0.0 110.888 -179.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.666 HG11 HG22 ' C' ' 24' ' ' VAL . 13.8 m -84.0 -34.83 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.089 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -67.79 -27.07 66.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' D' ' 23' ' ' PHE . 0.2 OUTLIER -81.04 -32.87 33.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.43 HD12 HG12 ' E' ' 25' ' ' VAL . 3.0 tt -63.93 -46.39 84.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.625 0.726 . . . . 0.0 109.703 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.88 -34.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.349 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m -49.85 -47.36 51.75 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.274 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.357 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.93 94.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 47.6 pt -81.76 -16.05 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.36 -34.98 11.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.038 0.447 . . . . 0.0 110.493 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.13 -27.76 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.553 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.32 16.74 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp -45.36 -40.08 7.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 O-C-N 123.318 0.386 . . . . 0.0 110.548 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.442 179.677 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.55 51.53 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.648 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.55 -17.96 65.16 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' THR . . . . . 0.549 ' O ' HG22 ' E' ' 14' ' ' VAL . 91.6 m -57.14 -33.48 67.44 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-O 120.531 0.205 . . . . 0.0 110.609 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.03 -18.88 28.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.401 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . 0.558 HG22 HG23 ' E' ' 17' ' ' VAL . 32.6 mm -77.83 -16.03 14.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . 0.549 HG22 ' O ' ' E' ' 11' ' ' THR . 35.5 m -53.6 -41.74 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.211 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' ASN . . . . . 0.477 ' N ' HG23 ' E' ' 14' ' ' VAL . 80.1 m-20 -59.65 -57.93 10.79 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.35 -179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -56.93 -36.61 70.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.558 HG23 HG22 ' E' ' 13' ' ' ILE . 24.8 t -62.27 -43.11 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' LEU . . . . . 0.451 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.57 -27.09 47.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.751 179.659 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' D' ' 20' ' ' PHE . 10.5 tp -52.44 -24.25 7.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.68 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CE2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -58.12 -15.09 8.29 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.582 179.141 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp -51.93 -17.66 1.07 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' ALA . . . . . 0.407 ' O ' HG22 ' E' ' 25' ' ' VAL . . . -51.87 -29.32 19.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' PHE . . . . . 0.491 ' CE1' HD23 ' E' ' 27' ' ' LEU . 0.0 OUTLIER -85.86 -20.19 29.47 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.973 0.416 . . . . 0.0 110.484 179.431 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.684 HG22 HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -55.04 -29.04 21.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 110.959 -179.506 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . 0.707 HG11 HG22 ' D' ' 24' ' ' VAL . 13.8 m -83.97 -34.83 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.103 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.8 -27.19 66.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' LEU . . . . . 0.491 HD23 ' CE1' ' E' ' 23' ' ' PHE . 0.2 OUTLIER -80.95 -32.84 34.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.394 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.45 HD12 HG12 ' A' ' 25' ' ' VAL . 3.0 tt -64.02 -46.34 84.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.599 0.714 . . . . 0.0 109.712 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -66.81 -34.65 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.321 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 11.6 m -49.76 -47.35 50.96 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.67 -34.78 76.26 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.301 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.92 94.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 pt -80.64 -18.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -37.7 8.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 110.353 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.02 -29.49 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.572 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.66 7.1 27.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.651 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp -39.19 -41.26 0.83 Allowed 'General case' 0 CA--C 1.52 -0.186 0 O-C-N 123.49 0.494 . . . . 0.0 111.127 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.444 179.515 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.56 -1.95 54.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.71 -18.46 77.36 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -49.0 -30.19 5.77 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.812 0.339 . . . . 0.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.85 -42.55 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.425 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -19.24 18.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.749 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.1 -28.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.075 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.01 -52.39 63.29 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.56 . . . . 0.0 110.722 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.76 -41.3 92.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.66 -22.4 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.011 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.0 tm? -72.02 -43.89 64.29 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.658 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -54.81 -18.98 5.47 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.647 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.36 1.41 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.071 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.63 -22.77 0.83 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.944 -0.117 . . . . 0.0 110.967 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.08 71.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.692 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -33.79 65.91 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 110.164 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.644 HG13 HG11 ' B' ' 25' ' ' VAL . 0.4 OUTLIER -79.19 -31.89 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.377 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.666 HG11 HG13 ' E' ' 24' ' ' VAL . 99.2 t -57.91 -49.71 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.543 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 30' ' ' THR . 2.6 m-85 -71.09 -44.07 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.083 0.468 . . . . 0.0 111.09 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.91 69.72 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.355 0.598 . . . . 0.0 111.109 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.542 ' HG ' HG12 ' B' ' 25' ' ' VAL . 2.4 mm? -75.09 -44.86 44.96 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.814 -0.754 . . . . 0.0 111.766 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.473 ' HB ' HD12 ' E' ' 28' ' ' LEU . 0.3 OUTLIER -55.21 -24.42 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.241 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 26' ' ' PHE . 20.2 p -57.2 -45.92 83.35 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.8 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.74 -40.76 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.219 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.94 55.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.401 HD11 HD12 ' E' ' 31' ' ' LEU . 0.4 OUTLIER -71.48 -30.38 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.667 -179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -25.65 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.295 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.2 p -92.33 -27.64 17.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.902 0.382 . . . . 0.0 110.311 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.7 5.23 29.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.07 -29.57 3.68 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 110.668 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.441 179.727 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -1.91 54.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.072 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.76 -18.43 77.41 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -49.03 -30.0 5.64 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.862 0.363 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.08 -42.51 11.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.348 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -19.37 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.56 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.92 -28.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.151 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -55.08 -52.35 63.5 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.226 0.536 . . . . 0.0 110.693 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -65.79 -41.27 92.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.625 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.64 -22.42 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.039 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.436 ' C ' HD13 ' B' ' 18' ' ' LEU . 3.0 tm? -72.07 -43.89 64.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.639 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 19' ' ' LEU . 0.7 OUTLIER -54.66 -19.04 5.29 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -23.55 1.43 Allowed 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.019 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.45 -22.87 0.79 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.933 -0.121 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.05 71.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.647 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -33.84 65.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.902 0.382 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.655 HG13 HG11 ' C' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.89 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 -179.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.644 HG11 HG13 ' A' ' 24' ' ' VAL . 99.1 t -57.98 -49.75 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.471 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 30' ' ' THR . 2.6 m-85 -71.06 -44.07 66.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 0.0 111.127 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.82 69.58 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.398 0.618 . . . . 0.0 111.202 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.54 ' HG ' HG12 ' C' ' 25' ' ' VAL . 2.4 mm? -75.15 -44.92 44.13 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.761 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -55.26 -24.3 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 119.506 -0.878 . . . . 0.0 110.272 -179.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 26' ' ' PHE . 20.3 p -57.33 -45.77 83.94 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.818 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.72 -40.77 89.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.55 55.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -30.37 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.617 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -25.61 4.64 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.277 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -92.47 -27.47 17.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.911 0.386 . . . . 0.0 110.179 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.04 6.15 26.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.84 -29.49 4.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.848 0.356 . . . . 0.0 110.529 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.484 179.722 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.59 -1.97 55.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.049 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.73 -18.48 77.39 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -48.89 -30.07 5.44 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.814 0.34 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -42.47 11.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.346 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -19.27 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.03 -28.99 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.124 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -55.02 -52.31 63.55 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.2 0.524 . . . . 0.0 110.734 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.83 -41.3 91.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.72 -22.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.051 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.43 HD13 ' C ' ' C' ' 18' ' ' LEU . 3.0 tm? -72.13 -43.88 64.01 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.689 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.467 ' O ' HD12 ' C' ' 19' ' ' LEU . 0.7 OUTLIER -54.68 -19.02 5.3 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.61 179.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -23.45 1.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.075 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.58 -22.82 0.82 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.002 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.21 -39.15 72.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.603 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -33.92 65.65 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.936 0.398 . . . . 0.0 110.182 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.648 HG13 HG11 ' D' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.92 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.655 HG11 HG13 ' B' ' 24' ' ' VAL . 99.3 t -57.86 -49.77 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.54 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.444 ' O ' HG23 ' C' ' 30' ' ' THR . 2.6 m-85 -71.06 -44.02 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 111.128 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -31.97 69.77 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.336 0.589 . . . . 0.0 111.122 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.533 ' HG ' HG12 ' D' ' 25' ' ' VAL . 2.4 mm? -75.09 -44.87 44.95 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.824 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' B' ' 28' ' ' LEU . 0.3 OUTLIER -55.1 -24.52 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.262 -179.506 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 26' ' ' PHE . 20.1 p -57.15 -45.92 83.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.856 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.7 -40.76 88.97 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.28 -18.58 55.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.72 -30.32 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.731 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -25.68 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.285 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 22.5 p -92.36 -27.48 17.51 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.187 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.09 6.16 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.9 -29.46 4.75 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.783 0.325 . . . . 0.0 110.527 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.5 179.737 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.58 -1.93 54.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.054 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.83 -18.43 77.49 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -48.98 -30.12 5.64 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.559 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.87 -42.68 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.318 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.35 -19.23 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.742 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.41 HG11 ' CB ' ' E' ' 15' ' ' ASN . 8.7 p -48.13 -28.9 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -55.11 -52.29 63.71 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.18 0.514 . . . . 0.0 110.692 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -65.79 -41.41 91.98 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.64 -22.41 23.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.974 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.425 HD13 ' C ' ' D' ' 18' ' ' LEU . 3.0 tm? -71.94 -43.97 64.37 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.716 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . 0.468 ' O ' HD12 ' D' ' 19' ' ' LEU . 0.7 OUTLIER -54.68 -19.05 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.623 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -23.56 1.39 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.034 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.52 -22.88 0.81 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.879 -0.146 . . . . 0.0 110.964 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.13 71.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.669 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.24 -33.83 65.78 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 110.205 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.638 HG13 HG11 ' E' ' 25' ' ' VAL . 0.4 OUTLIER -79.19 -31.95 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 -179.294 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.648 HG11 HG13 ' C' ' 24' ' ' VAL . 99.2 t -57.85 -49.76 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.495 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.45 ' O ' HG23 ' D' ' 30' ' ' THR . 2.6 m-85 -71.12 -43.97 66.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.039 0.447 . . . . 0.0 111.109 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -31.96 69.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.329 0.585 . . . . 0.0 111.099 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.53 ' HG ' HG12 ' E' ' 25' ' ' VAL . 2.4 mm? -75.08 -44.91 44.76 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.761 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' C' ' 28' ' ' LEU . 0.3 OUTLIER -55.18 -24.45 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.251 -179.432 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . 0.45 HG23 ' O ' ' D' ' 26' ' ' PHE . 20.1 p -57.23 -45.84 83.51 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.854 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.78 -40.68 89.08 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.21 -18.88 54.87 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -30.32 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.767 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -25.63 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.29 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -27.67 17.35 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.882 0.372 . . . . 0.0 110.194 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 5.21 29.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.988 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.04 -29.58 3.64 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 120.717 0.294 . . . . 0.0 110.606 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.435 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.65 -2.0 55.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.76 -18.49 77.45 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -48.86 -30.75 6.18 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-O 120.885 0.374 . . . . 0.0 110.554 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.89 -43.08 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.491 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -19.08 17.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.41 -28.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.054 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' ASN . . . . . 0.41 ' CB ' HG11 ' D' ' 14' ' ' VAL . 58.4 m-80 -55.04 -52.36 63.41 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.226 0.536 . . . . 0.0 110.738 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -65.77 -41.35 92.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -59.72 -22.4 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.948 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' LEU . . . . . 0.42 ' C ' HD13 ' E' ' 18' ' ' LEU . 3.0 tm? -71.98 -43.86 64.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.72 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' LEU . . . . . 0.467 ' O ' HD12 ' E' ' 19' ' ' LEU . 0.7 OUTLIER -54.71 -19.05 5.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.676 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -23.38 1.41 Allowed 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.028 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.67 -22.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.877 -0.147 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.18 -39.2 72.02 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.88 65.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.143 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.666 HG13 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -79.18 -31.94 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.231 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . 0.638 HG11 HG13 ' D' ' 24' ' ' VAL . 98.9 t -57.96 -49.73 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.467 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' PHE . . . . . 0.443 ' O ' HG23 ' E' ' 30' ' ' THR . 2.6 m-85 -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.047 0.451 . . . . 0.0 111.055 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -31.93 69.68 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.393 0.616 . . . . 0.0 111.215 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.536 ' HG ' HG12 ' A' ' 25' ' ' VAL . 2.4 mm? -75.15 -44.83 44.68 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.795 -0.762 . . . . 0.0 111.797 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . 0.474 ' HB ' HD12 ' D' ' 28' ' ' LEU . 0.3 OUTLIER -55.23 -24.35 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.215 -179.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' THR . . . . . 0.443 HG23 ' O ' ' E' ' 26' ' ' PHE . 20.2 p -57.22 -45.93 83.39 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.831 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 33' ' ' ILE . 3.5 mm? -59.65 -40.81 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.27 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.61 -20.06 54.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.998 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.53 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.838 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.64 -25.67 4.5 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.366 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 22.6 p -92.42 -27.68 17.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.41 . . . . 0.0 110.295 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.05 1.63 39.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.078 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -46.03 -29.76 1.59 Allowed 'General case' 0 C--N 1.338 0.092 0 CA-C-O 120.683 0.277 . . . . 0.0 110.875 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.385 179.659 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.4 m -75.07 -40.86 59.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.61 -21.31 54.47 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.543 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.7 m -55.73 -19.18 10.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.031 -0.267 . . . . 0.0 110.798 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.38 -28.37 18.72 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.784 0.326 . . . . 0.0 110.664 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mp -71.2 -24.81 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 11' ' ' THR . 26.2 m -49.45 -27.97 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -62.68 -57.74 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.321 0.582 . . . . 0.0 110.652 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.76 -27.93 69.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 13' ' ' ILE . 65.2 t -63.86 -42.32 95.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -71.01 -24.5 62.38 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.415 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' E' ' 18' ' ' LEU . 5.5 tt -51.42 -26.02 7.27 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.022 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' HD1' ' N ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.16 -9.19 4.36 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' N ' ' HD1' ' A' ' 20' ' ' PHE . 21.1 tp -53.15 -26.57 17.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 111.631 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.34 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.548 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -36.08 71.32 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.518 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -73.91 -18.89 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -178.157 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' C ' HD21 ' E' ' 28' ' ' LEU . 0.2 OUTLIER -82.48 -56.48 5.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.304 -179.424 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -43.44 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.504 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.39 98.24 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.289 0.566 . . . . 0.0 110.498 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 24' ' ' VAL . 4.9 mp -63.53 -48.1 78.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' HB3' ' E' ' 28' ' ' LEU . 0.6 OUTLIER -61.39 -31.56 50.77 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.473 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.11 79.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.18 -25.66 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.402 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.51 -23.05 27.89 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.749 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.64 -27.22 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.455 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.17 -31.34 3.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.43 HG21 ' HB1' ' B' ' 36' ' ' ALA . 5.3 t -98.77 -25.39 14.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.204 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB1' HG21 ' E' ' 35' ' ' THR . . . -62.76 -30.53 71.51 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.33 -163.99 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.626 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.117 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.1 m -75.07 -40.87 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.57 -21.33 54.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.538 ' O ' HG22 ' B' ' 14' ' ' VAL . 4.8 m -55.93 -18.81 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.788 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.79 -28.2 18.39 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.818 0.342 . . . . 0.0 110.654 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 17' ' ' VAL . 1.3 mp -71.3 -24.76 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.538 HG22 ' O ' ' B' ' 11' ' ' THR . 26.8 m -49.5 -27.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.64 -57.88 9.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.344 0.592 . . . . 0.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -27.9 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.302 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 13' ' ' ILE . 65.1 t -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.507 ' O ' HD12 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -70.98 -24.53 62.41 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.404 HD12 ' CB ' ' A' ' 18' ' ' LEU . 5.5 tt -51.38 -26.11 7.27 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.43 ' HD1' ' N ' ' B' ' 21' ' ' LEU . 0.1 OUTLIER -61.29 -8.82 4.16 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.43 ' N ' ' HD1' ' B' ' 20' ' ' PHE . 21.3 tp -53.55 -26.22 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.547 0.213 . . . . 0.0 111.547 -177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -26.39 61.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.574 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -36.09 71.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.532 ' O ' HD13 ' B' ' 28' ' ' LEU . 0.4 OUTLIER -74.04 -18.6 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -178.133 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.461 ' C ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -82.63 -56.4 5.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.304 -179.436 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.421 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.05 -43.38 95.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.481 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.13 -41.46 98.27 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.329 0.585 . . . . 0.0 110.476 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.532 HD13 ' O ' ' B' ' 24' ' ' VAL . 4.9 mp -63.52 -48.01 79.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.976 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.429 HG21 ' HB3' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -61.48 -31.5 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.482 179.468 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.03 -42.14 79.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.737 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.31 -25.48 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.89 -22.02 27.7 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.62 -27.0 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.387 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -47.41 -31.17 3.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.423 HG21 ' HB1' ' C' ' 36' ' ' ALA . 5.3 t -98.94 -25.38 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.151 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.43 ' HB1' HG21 ' A' ' 35' ' ' THR . . . -62.77 -30.5 71.5 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.657 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.28 -163.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.588 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.961 -1.018 . . . . 0.0 111.209 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 36.3 m -75.1 -40.88 59.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.62 -21.26 54.4 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.532 ' O ' HG22 ' C' ' 14' ' ' VAL . 4.7 m -55.88 -18.8 9.74 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.81 -0.23 . . . . 0.0 110.825 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.83 -28.21 18.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.825 0.345 . . . . 0.0 110.671 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.412 ' O ' HG23 ' C' ' 17' ' ' VAL . 1.3 mp -71.32 -24.69 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.532 HG22 ' O ' ' C' ' 11' ' ' THR . 27.0 m -49.54 -27.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -62.63 -57.85 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.324 0.583 . . . . 0.0 110.628 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -63.65 -27.95 69.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.412 HG23 ' O ' ' C' ' 13' ' ' ILE . 66.5 t -63.86 -42.29 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.495 ' O ' HD12 ' C' ' 18' ' ' LEU . 0.3 OUTLIER -70.95 -24.59 62.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.314 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' B' ' 18' ' ' LEU . 5.5 tt -51.46 -25.98 7.35 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.092 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.423 ' HD1' ' N ' ' C' ' 21' ' ' LEU . 0.1 OUTLIER -61.31 -8.82 4.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.423 ' N ' ' HD1' ' C' ' 20' ' ' PHE . 21.3 tp -53.49 -26.39 20.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.573 0.225 . . . . 0.0 111.557 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.32 60.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.546 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -36.14 71.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.532 ' O ' HD13 ' C' ' 28' ' ' LEU . 0.4 OUTLIER -74.03 -18.59 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.886 0.374 . . . . 0.0 110.969 -178.13 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.454 ' C ' HD21 ' B' ' 28' ' ' LEU . 0.2 OUTLIER -82.64 -56.43 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.299 -179.426 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.413 ' HA ' HD21 ' B' ' 28' ' ' LEU . 0.1 OUTLIER -59.89 -43.49 94.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.565 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.08 -41.45 98.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.39 0.614 . . . . 0.0 110.537 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.532 HD13 ' O ' ' C' ' 24' ' ' VAL . 4.9 mp -63.58 -48.02 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -61.39 -31.58 50.83 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.515 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -42.06 79.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.727 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.34 -25.46 59.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.353 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.95 -22.08 27.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.59 -27.05 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.37 -31.19 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.456 HG21 ' HB1' ' D' ' 36' ' ' ALA . 5.3 t -98.89 -25.37 14.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.173 179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' B' ' 35' ' ' THR . . . -62.78 -30.44 71.46 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.636 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.16 -163.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.692 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.174 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 36.4 m -75.05 -40.96 59.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.57 -21.39 54.51 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . 0.532 ' O ' HG22 ' D' ' 14' ' ' VAL . 4.7 m -55.68 -19.18 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.83 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -90.39 -28.31 18.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.78 0.324 . . . . 0.0 110.719 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.41 ' O ' HG23 ' D' ' 17' ' ' VAL . 1.3 mp -71.22 -24.77 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.532 HG22 ' O ' ' D' ' 11' ' ' THR . 26.2 m -49.45 -27.98 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -62.72 -57.77 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.323 0.582 . . . . 0.0 110.627 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -63.78 -27.85 69.47 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . 0.41 HG23 ' O ' ' D' ' 13' ' ' ILE . 65.1 t -63.87 -42.26 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.499 HD12 ' O ' ' D' ' 18' ' ' LEU . 0.3 OUTLIER -71.03 -24.57 62.39 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.348 179.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -51.36 -26.03 7.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.033 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.432 ' HD1' ' N ' ' D' ' 21' ' ' LEU . 0.1 OUTLIER -61.19 -9.13 4.33 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.432 ' N ' ' HD1' ' D' ' 20' ' ' PHE . 21.2 tp -53.14 -26.58 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.612 0.244 . . . . 0.0 111.61 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.29 -26.35 60.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.555 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -36.16 71.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.226 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.531 ' O ' HD13 ' D' ' 28' ' ' LEU . 0.4 OUTLIER -73.88 -18.88 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 -178.147 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.451 ' C ' HD21 ' C' ' 28' ' ' LEU . 0.2 OUTLIER -82.45 -56.41 6.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.341 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.434 ' HA ' HD21 ' C' ' 28' ' ' LEU . 0.1 OUTLIER -60.06 -43.35 95.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.477 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.21 -41.44 98.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.286 0.565 . . . . 0.0 110.432 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.531 HD13 ' O ' ' D' ' 24' ' ' VAL . 4.9 mp -63.53 -48.1 78.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.446 HG21 ' HB3' ' C' ' 28' ' ' LEU . 0.6 OUTLIER -61.29 -31.62 50.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.49 179.491 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -42.1 79.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.695 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.17 -25.85 59.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.38 -23.07 28.13 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.799 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -92.5 -27.31 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.497 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.23 -31.23 3.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' THR . . . . . 0.401 HG21 ' HB1' ' E' ' 36' ' ' ALA . 5.2 t -98.83 -25.42 14.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.152 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' C' ' 35' ' ' THR . . . -62.8 -30.5 71.52 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.624 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.25 -163.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.638 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.196 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 37.4 m -75.16 -40.85 59.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.752 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -21.31 54.73 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' THR . . . . . 0.552 ' O ' HG22 ' E' ' 14' ' ' VAL . 4.8 m -55.57 -20.04 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.72 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mp -88.76 -29.21 19.96 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.979 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . 0.411 ' O ' HG23 ' E' ' 17' ' ' VAL . 1.3 mp -70.94 -24.79 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.917 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . 0.552 HG22 ' O ' ' E' ' 11' ' ' THR . 26.3 m -49.46 -27.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -62.79 -57.52 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.569 . . . . 0.0 110.661 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -63.83 -27.92 69.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.411 HG23 ' O ' ' E' ' 13' ' ' ILE . 66.0 t -63.8 -42.39 95.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' LEU . . . . . 0.506 ' O ' HD12 ' E' ' 18' ' ' LEU . 0.3 OUTLIER -70.99 -24.59 62.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.354 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' D' ' 18' ' ' LEU . 5.5 tt -51.33 -26.26 7.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.206 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.418 ' HD1' ' N ' ' E' ' 21' ' ' LEU . 0.1 OUTLIER -58.97 -12.92 5.15 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.363 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' LEU . . . . . 0.418 ' N ' ' HD1' ' E' ' 20' ' ' PHE . 20.9 tp -51.28 -26.57 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -176.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.5 -26.24 61.0 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.519 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -36.24 71.65 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.533 ' O ' HD13 ' E' ' 28' ' ' LEU . 0.4 OUTLIER -73.52 -19.68 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-O 120.82 0.343 . . . . 0.0 110.783 -178.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . 0.441 ' C ' HD21 ' D' ' 28' ' ' LEU . 0.2 OUTLIER -82.05 -56.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.372 -179.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' PHE . . . . . 0.426 ' HA ' HD21 ' D' ' 28' ' ' LEU . 0.1 OUTLIER -60.05 -43.4 95.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.527 -179.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.15 -41.4 98.25 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.301 0.572 . . . . 0.0 110.458 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.533 HD13 ' O ' ' E' ' 24' ' ' VAL . 5.0 mp -63.62 -47.91 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' D' ' 28' ' ' LEU . 0.6 OUTLIER -61.48 -31.47 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 119.874 -0.731 . . . . 0.0 109.386 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -42.06 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.756 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.21 -26.13 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.28 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.17 -26.06 29.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.19 -29.11 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.217 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -46.72 -31.36 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' THR . . . . . 0.425 HG21 ' HB1' ' A' ' 36' ' ' ALA . 5.3 t -98.85 -25.37 14.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.151 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' D' ' 35' ' ' THR . . . -62.77 -30.55 71.54 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 67.29 -163.91 0.22 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.606 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.123 -179.864 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 49.98 27.75 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.608 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -61.61 -41.52 99.59 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.1 -28.26 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.74 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.07 -49.02 79.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.13 -31.06 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.741 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 10' ' ' GLY . 5.4 t -55.56 -42.85 70.36 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.4 -57.87 10.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 111.424 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.543 ' OG ' HG21 ' E' ' 14' ' ' VAL . 66.9 m -58.62 -34.13 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.092 0.472 . . . . 0.0 109.911 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.64 -21.84 14.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -66.71 -42.54 86.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.282 0.563 . . . . 0.0 110.612 -179.268 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.59 -14.35 29.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.707 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -17.31 40.18 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.83 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 18' ' ' LEU . 2.8 pp -70.65 -8.13 49.58 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.771 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' E' ' 21' ' ' LEU . . . -82.24 -16.52 49.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.014 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -35.75 65.27 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.25 0.548 . . . . 0.0 110.547 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.481 HG13 HG11 ' B' ' 25' ' ' VAL . 5.9 p -72.59 -25.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.301 0.572 . . . . 0.0 111.133 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG11 HG13 ' E' ' 24' ' ' VAL . 6.4 t -62.01 -54.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.422 0.629 . . . . 0.0 110.613 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -29.84 70.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.88 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -32.3 69.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.164 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD22 HD11 ' E' ' 28' ' ' LEU . 3.3 tt -72.69 -36.49 67.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.988 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.508 ' CG1' HD22 ' E' ' 31' ' ' LEU . 53.3 t -57.07 -50.49 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.959 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.59 -43.89 95.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.959 HD23 HD13 ' B' ' 33' ' ' ILE . 2.4 mp -66.36 -27.83 68.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.799 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.58 27.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.931 HD13 HD23 ' E' ' 31' ' ' LEU . 1.8 tp -62.64 -23.28 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.09 -43.18 30.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.838 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.76 -30.02 7.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.865 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.26 76.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -49.2 -29.09 5.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.371 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.516 179.617 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 50.01 27.71 2.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.603 ' O ' HG23 ' B' ' 14' ' ' VAL . . . -61.53 -41.59 99.59 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.04 -28.17 35.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.783 0.325 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.1 -49.12 78.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.679 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.13 -30.98 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 10' ' ' GLY . 5.3 t -55.57 -43.04 71.22 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.13 -58.43 8.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.17 0.509 . . . . 0.0 111.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.549 ' OG ' HG21 ' A' ' 14' ' ' VAL . 66.1 m -58.06 -34.27 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.071 0.462 . . . . 0.0 110.031 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.57 -21.89 14.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.608 ' O ' HD23 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -66.84 -42.35 85.93 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.549 -179.212 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.79 -14.01 28.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.652 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -16.85 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.749 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.608 HD23 ' O ' ' B' ' 18' ' ' LEU . 2.8 pp -71.28 -6.82 42.74 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.727 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.576 ' HB2' ' CB ' ' A' ' 21' ' ' LEU . . . -83.4 -16.38 46.11 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.962 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -35.7 65.01 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.213 0.53 . . . . 0.0 110.567 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.472 HG13 HG11 ' C' ' 25' ' ' VAL . 6.2 p -72.48 -25.57 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.336 0.588 . . . . 0.0 111.176 -178.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.481 HG11 HG13 ' A' ' 24' ' ' VAL . 6.3 t -62.01 -54.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.369 0.604 . . . . 0.0 110.569 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.93 70.83 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.865 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.86 -32.33 69.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.16 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.541 HD11 HD22 ' C' ' 28' ' ' LEU . 3.3 tt -72.7 -36.52 67.85 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.936 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.522 ' CG1' HD22 ' A' ' 31' ' ' LEU . 53.2 t -57.05 -50.5 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.55 -43.98 95.49 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.301 0.572 . . . . 0.0 110.583 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.956 HD23 HD13 ' C' ' 33' ' ' ILE . 2.4 mp -66.4 -27.82 68.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.75 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.53 -35.51 27.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.959 HD13 HD23 ' A' ' 31' ' ' LEU . 1.8 tp -62.65 -23.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.949 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 tt -48.09 -42.74 29.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -113.44 -29.84 7.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.35 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -48.95 -29.29 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.393 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.465 179.672 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 50.01 27.76 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.505 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . 0.614 ' O ' HG23 ' C' ' 14' ' ' VAL . . . -61.59 -41.49 99.58 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.09 -28.21 35.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.802 0.334 . . . . 0.0 110.802 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.16 -49.05 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.71 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.13 -31.03 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.614 HG23 ' O ' ' C' ' 10' ' ' GLY . 5.4 t -55.55 -42.88 70.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.27 -58.36 8.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 111.39 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . 0.508 ' OG ' HG21 ' B' ' 14' ' ' VAL . 66.7 m -58.18 -34.17 70.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.047 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.52 -21.97 14.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.603 ' O ' HD23 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -66.79 -42.44 85.98 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.599 -179.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.77 -13.91 27.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.704 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -16.85 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.735 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.603 HD23 ' O ' ' C' ' 18' ' ' LEU . 2.8 pp -71.29 -6.84 42.88 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.715 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.581 ' HB2' ' CB ' ' B' ' 21' ' ' LEU . . . -83.44 -16.37 46.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.968 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -35.73 65.19 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.281 0.562 . . . . 0.0 110.571 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.454 HG13 HG11 ' D' ' 25' ' ' VAL . 6.2 p -72.52 -25.53 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.576 . . . . 0.0 111.171 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.472 HG11 HG13 ' B' ' 24' ' ' VAL . 6.1 t -62.03 -54.62 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.602 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -29.94 70.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -32.4 69.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.121 -0.631 . . . . 0.0 110.185 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.541 HD22 HD11 ' B' ' 28' ' ' LEU . 3.3 tt -72.77 -36.4 67.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.514 ' CG1' HD22 ' B' ' 31' ' ' LEU . 53.4 t -57.11 -50.57 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.39 -43.92 96.17 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.69 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . 0.945 HD23 HD13 ' D' ' 33' ' ' ILE . 2.4 mp -66.42 -27.85 68.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.792 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.52 -35.52 27.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.956 HD13 HD23 ' B' ' 31' ' ' LEU . 1.8 tp -62.73 -23.35 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.87 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.03 -42.75 29.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -113.49 -29.81 7.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -61.37 -35.52 77.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.736 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp -48.88 -29.24 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.471 179.627 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 49.95 27.76 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.554 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . 0.603 ' O ' HG23 ' D' ' 14' ' ' VAL . . . -61.45 -41.57 99.57 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 11.1 t -81.17 -28.23 35.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.0 -49.1 78.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 11.3 tt -71.15 -30.98 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.603 HG23 ' O ' ' D' ' 10' ' ' GLY . 5.5 t -55.59 -42.9 70.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.37 -57.92 10.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.109 0.481 . . . . 0.0 111.374 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . 0.542 ' OG ' HG21 ' C' ' 14' ' ' VAL . 67.4 m -58.6 -34.11 70.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.54 -21.98 14.11 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.587 ' O ' HD23 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -66.62 -42.63 86.52 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.612 -179.233 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.57 -14.33 29.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.687 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -17.25 39.56 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.836 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.589 ' CB ' ' HB2' ' E' ' 22' ' ' ALA . 2.8 pp -70.74 -8.07 49.5 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.709 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . 0.575 ' HB2' ' CB ' ' C' ' 21' ' ' LEU . . . -82.2 -16.57 49.2 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.097 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -35.73 65.2 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.221 0.534 . . . . 0.0 110.585 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.481 HG13 HG11 ' E' ' 25' ' ' VAL . 6.1 p -72.47 -25.49 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.306 0.574 . . . . 0.0 111.169 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.454 HG11 HG13 ' C' ' 24' ' ' VAL . 6.2 t -62.05 -54.55 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.299 0.571 . . . . 0.0 110.632 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -29.91 70.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -32.25 69.4 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.154 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.54 HD11 HD22 ' E' ' 28' ' ' LEU . 3.2 tt -72.71 -36.48 67.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.978 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.518 ' CG1' HD22 ' C' ' 31' ' ' LEU . 53.3 t -57.16 -50.37 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.978 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.53 -43.95 95.66 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.239 0.542 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.971 HD23 HD13 ' E' ' 33' ' ' ILE . 2.5 mp -66.35 -27.88 68.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.45 -35.65 27.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.945 HD13 HD23 ' C' ' 31' ' ' LEU . 1.8 tp -62.58 -23.28 32.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.01 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -48.07 -43.26 30.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -112.88 -30.01 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.831 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -61.24 -35.28 76.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.796 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -49.12 -29.2 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.467 179.661 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p 49.87 27.83 2.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . 0.615 ' O ' HG23 ' E' ' 14' ' ' VAL . . . -61.55 -41.53 99.58 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -81.13 -28.22 35.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.769 0.318 . . . . 0.0 110.778 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.1 -49.05 78.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.772 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.18 -30.94 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.755 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . 0.615 HG23 ' O ' ' E' ' 10' ' ' GLY . 5.6 t -55.54 -42.94 70.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.971 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.71 -57.19 13.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.146 0.498 . . . . 0.0 111.502 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . 0.552 ' OG ' HG21 ' D' ' 14' ' ' VAL . 67.5 m -58.97 -34.17 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.51 -22.0 14.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' LEU . . . . . 0.596 ' O ' HD23 ' E' ' 21' ' ' LEU . 0.2 OUTLIER -66.64 -42.66 86.36 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.586 -179.219 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pp -60.85 -15.8 34.31 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.638 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -18.37 32.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.592 0.234 . . . . 0.0 111.018 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' LEU . . . . . 0.596 HD23 ' O ' ' E' ' 18' ' ' LEU . 2.7 pp -67.02 -14.32 62.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.549 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' ALA . . . . . 0.589 ' HB2' ' CB ' ' D' ' 21' ' ' LEU . . . -78.65 -16.75 56.95 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.331 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -35.78 65.5 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.254 0.55 . . . . 0.0 110.639 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.486 HG12 ' O ' ' E' ' 21' ' ' LEU . 5.8 p -72.53 -25.48 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.278 0.561 . . . . 0.0 111.131 -178.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . 0.481 HG11 HG13 ' D' ' 24' ' ' VAL . 6.1 t -62.01 -54.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.611 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -29.83 70.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.875 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -32.28 69.4 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.16 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.54 HD22 HD11 ' D' ' 28' ' ' LEU . 3.3 tt -72.78 -36.35 67.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.01 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . 0.519 ' CG1' HD22 ' D' ' 31' ' ' LEU . 53.6 t -57.27 -50.38 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.912 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -63.52 -43.91 95.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.625 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . 0.931 HD23 HD13 ' A' ' 33' ' ' ILE . 2.4 mp -66.45 -27.86 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.761 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.54 -35.49 27.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.971 HD13 HD23 ' D' ' 31' ' ' LEU . 1.8 tp -62.71 -23.26 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.989 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -47.91 -44.55 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.719 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 5.6 t -110.7 -30.85 7.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 111.237 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -61.02 -35.3 76.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 -178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.3 tp -49.02 -29.31 4.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.405 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.222 -0.395 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.517 179.665 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -109.83 -25.6 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.51 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.85 -30.73 74.58 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.435 ' O ' HG12 ' A' ' 14' ' ' VAL . 14.1 t -65.85 -11.75 49.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.19 -36.46 15.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.85 0.357 . . . . 0.0 110.393 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.407 HG22 HG23 ' A' ' 17' ' ' VAL . 11.0 mm -93.69 -16.45 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 11' ' ' THR . 12.6 p -49.57 -36.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 0.0 110.933 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -55.2 38.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.137 0.494 . . . . 0.0 111.117 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 t -59.67 -41.3 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.889 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 13' ' ' ILE . 52.7 t -61.41 -41.13 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.295 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.52 ' HG ' HD23 ' A' ' 21' ' ' LEU . 66.8 tp -54.44 -34.25 61.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -23.19 6.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.648 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -13.69 47.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.635 0.255 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.669 HD11 HD13 ' E' ' 21' ' ' LEU . 0.6 OUTLIER -69.43 -24.31 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.447 -179.066 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' E' ' 21' ' ' LEU . . . -70.25 -44.38 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.424 -178.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.62 -36.24 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.865 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.433 HG22 ' CE2' ' A' ' 23' ' ' PHE . 45.2 t -62.42 -39.31 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.94 -59.72 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -23.49 61.36 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.491 -0.883 . . . . 0.0 110.701 -177.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 23' ' ' PHE . 2.6 tp -63.74 -51.83 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.081 0.467 . . . . 0.0 110.464 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' CB ' HG22 ' B' ' 29' ' ' VAL . 1.1 pp -53.84 -26.2 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.264 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG22 ' CB ' ' E' ' 28' ' ' LEU . 8.3 t -71.49 -45.08 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.211 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -31.88 68.15 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.076 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -45.76 46.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.28 65.87 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.331 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -66.98 -43.14 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.178 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.02 -20.38 9.18 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.0 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' HB1' HG21 ' E' ' 35' ' ' THR . . . -89.85 -3.57 58.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.372 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.42 -83.79 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.695 0.283 . . . . 0.0 110.623 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.133 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -109.74 -25.59 10.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.91 -30.63 74.39 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.434 ' O ' HG12 ' B' ' 14' ' ' VAL . 14.2 t -65.94 -11.38 46.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.618 0.247 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -35.86 15.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.892 0.377 . . . . 0.0 110.461 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.406 HG22 HG23 ' B' ' 17' ' ' VAL . 11.0 mm -94.4 -16.38 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.434 HG12 ' O ' ' B' ' 11' ' ' THR . 12.7 p -49.55 -36.39 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.894 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -55.17 38.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 111.222 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.72 -41.33 90.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.876 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.406 HG23 HG22 ' B' ' 13' ' ' ILE . 52.7 t -61.41 -41.04 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.378 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.532 ' HG ' HD23 ' B' ' 21' ' ' LEU . 66.4 tp -54.53 -34.38 61.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -23.04 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.668 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -12.64 43.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.625 0.25 . . . . 0.0 111.449 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.659 HD13 HD11 ' C' ' 21' ' ' LEU . 0.7 OUTLIER -70.37 -24.3 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 111.246 -178.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . . . -70.17 -44.38 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.408 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.538 ' CE1' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -50.63 -36.34 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.915 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.434 HG22 ' CE2' ' B' ' 23' ' ' PHE . 44.9 t -62.21 -39.47 84.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.279 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.4 ' HA ' HD23 ' B' ' 28' ' ' LEU . 21.7 t -61.9 -60.0 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.9 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.43 ' CE1' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -58.61 -23.55 59.11 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.687 -177.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' B' ' 23' ' ' PHE . 2.6 tp -63.69 -51.86 63.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.056 0.455 . . . . 0.0 110.475 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.439 ' CB ' HG22 ' C' ' 29' ' ' VAL . 1.1 pp -53.87 -26.23 23.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.24 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' B' ' 28' ' ' LEU . 8.2 t -71.38 -45.18 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.24 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -31.88 68.11 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.168 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.1 -45.87 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -28.41 66.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.366 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mt -66.91 -43.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.13 -19.96 8.9 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.685 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.433 HG21 ' HB1' ' C' ' 36' ' ' ALA . 1.2 p -110.08 -24.89 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.469 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.53 57.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.38 -83.8 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.714 0.292 . . . . 0.0 110.618 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.182 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 67.1 p -109.79 -25.52 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.92 -30.64 74.38 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.436 ' O ' HG12 ' C' ' 14' ' ' VAL . 14.1 t -65.95 -11.43 47.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.592 0.234 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.61 -35.76 15.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.94 0.4 . . . . 0.0 110.558 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.409 HG22 HG23 ' C' ' 17' ' ' VAL . 11.0 mm -94.47 -16.29 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.907 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.436 HG12 ' O ' ' C' ' 11' ' ' THR . 12.7 p -49.6 -36.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.862 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -55.21 38.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.272 0.558 . . . . 0.0 111.229 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -59.77 -41.31 90.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.83 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.409 HG23 HG22 ' C' ' 13' ' ' ILE . 52.5 t -61.4 -41.08 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.33 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.507 ' HG ' HD23 ' C' ' 21' ' ' LEU . 66.6 tp -54.62 -34.2 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -23.04 5.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.566 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -12.69 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.646 0.26 . . . . 0.0 111.494 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.659 HD11 HD13 ' B' ' 21' ' ' LEU . 0.7 OUTLIER -70.32 -24.32 62.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.241 -179.008 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' B' ' 21' ' ' LEU . . . -70.11 -44.39 69.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.543 ' CE1' HD13 ' C' ' 27' ' ' LEU . 0.0 OUTLIER -50.69 -36.3 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.878 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' C' ' 23' ' ' PHE . 45.1 t -62.25 -39.42 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.275 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.88 -60.03 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.915 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.405 ' CE1' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -58.75 -23.39 59.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.727 -177.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' C' ' 23' ' ' PHE . 2.6 tp -63.77 -51.89 62.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 0.0 110.421 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.41 ' CB ' HG22 ' D' ' 29' ' ' VAL . 1.1 pp -53.87 -26.11 23.16 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.269 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' B' ' 28' ' ' LEU . 8.1 t -71.46 -45.2 69.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.233 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -31.89 68.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.123 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -45.68 46.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.054 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.34 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.33 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 43.5 mt -66.97 -43.09 89.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.186 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.1 -19.95 8.72 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.724 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -110.1 -24.95 10.47 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 110.457 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.433 ' HB1' HG21 ' B' ' 35' ' ' THR . . . -89.88 -3.63 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.288 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.48 -83.88 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.28 . . . . 0.0 110.552 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.186 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 66.8 p -109.82 -25.57 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.89 -30.73 74.51 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . 0.433 ' O ' HG12 ' D' ' 14' ' ' VAL . 14.0 t -65.82 -11.79 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.651 0.262 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.12 -36.4 15.74 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.928 0.394 . . . . 0.0 110.522 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.422 HG22 HG23 ' D' ' 17' ' ' VAL . 10.9 mm -93.71 -16.6 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.977 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.433 HG12 ' O ' ' D' ' 11' ' ' THR . 12.6 p -49.39 -36.41 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.931 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -55.18 38.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.167 0.508 . . . . 0.0 111.179 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.2 t -59.73 -41.28 90.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.886 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . 0.422 HG23 HG22 ' D' ' 13' ' ' ILE . 52.6 t -61.51 -41.01 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.311 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' D' ' 21' ' ' LEU . 66.4 tp -54.52 -34.28 61.46 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' C' ' 18' ' ' LEU . 0.5 OUTLIER -52.58 -23.26 6.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.564 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.89 -13.73 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.658 0.266 . . . . 0.0 111.38 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.644 HD13 HD11 ' E' ' 21' ' ' LEU . 0.6 OUTLIER -69.3 -24.37 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.378 -179.054 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' C' ' 21' ' ' LEU . . . -70.25 -44.35 68.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' D' ' 27' ' ' LEU . 0.0 OUTLIER -50.67 -36.28 34.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.788 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.432 HG22 ' CE2' ' D' ' 23' ' ' PHE . 44.9 t -62.33 -39.45 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.216 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.402 ' HA ' HD23 ' D' ' 28' ' ' LEU . 21.7 t -61.82 -59.85 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -23.45 61.03 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.672 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' D' ' 23' ' ' PHE . 2.6 tp -63.68 -51.9 63.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 110.474 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.404 ' CB ' HG22 ' E' ' 29' ' ' VAL . 1.1 pp -53.9 -26.12 23.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' C' ' 28' ' ' LEU . 8.2 t -71.37 -45.24 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.282 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.98 68.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.176 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -45.77 47.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.56 -28.34 65.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.94 -43.16 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.151 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.94 -20.44 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.618 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.66 -25.04 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.522 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.44 58.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.29 -83.86 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 0.0 110.605 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.869 -1.063 . . . . 0.0 110.166 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -109.76 -25.59 10.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.97 -30.55 74.21 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' THR . . . . . 0.444 ' O ' HG12 ' E' ' 14' ' ' VAL . 14.1 t -65.77 -12.43 53.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.608 0.242 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.84 -38.81 15.37 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.897 0.379 . . . . 0.0 110.343 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . 0.42 HG22 HG23 ' E' ' 17' ' ' VAL . 11.0 mm -90.5 -17.66 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.666 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . 0.444 HG12 ' O ' ' E' ' 11' ' ' THR . 12.6 p -49.27 -36.15 9.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.897 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -55.12 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.207 0.527 . . . . 0.0 111.109 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -59.68 -41.35 90.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.9 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.42 HG23 HG22 ' E' ' 13' ' ' ILE . 52.5 t -61.47 -40.99 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' LEU . . . . . 0.529 ' HG ' HD23 ' E' ' 21' ' ' LEU . 66.5 tp -54.56 -34.17 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' D' ' 18' ' ' LEU . 0.5 OUTLIER -52.66 -23.34 6.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.665 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -15.6 56.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -67.98 -24.59 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.523 -178.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' D' ' 21' ' ' LEU . . . -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.426 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' E' ' 27' ' ' LEU . 0.0 OUTLIER -50.52 -36.37 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.874 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.436 HG22 ' CE2' ' E' ' 23' ' ' PHE . 44.5 t -62.26 -39.43 84.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.237 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.13 -59.3 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.041 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' PHE . . . . . 0.423 ' CE1' HD23 ' D' ' 27' ' ' LEU . 0.1 OUTLIER -59.29 -23.44 62.43 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.684 -177.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' E' ' 23' ' ' PHE . 2.6 tp -63.61 -51.95 63.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.054 0.454 . . . . 0.0 110.483 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.426 ' CB ' HG22 ' A' ' 29' ' ' VAL . 1.1 pp -53.82 -26.16 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . 0.408 ' N ' ' HG ' ' E' ' 28' ' ' LEU . 8.5 t -71.5 -45.04 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.29 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.39 -31.92 68.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.166 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -45.85 46.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.42 -28.37 66.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.407 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 43.6 mt -66.88 -43.17 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.207 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -54.82 -21.06 10.04 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.54 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' THR . . . . . 0.402 HG21 ' HB1' ' A' ' 36' ' ' ALA . 1.2 p -108.78 -25.33 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.697 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.76 -3.46 58.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.34 -83.88 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 110.524 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.949 -1.025 . . . . 0.0 110.128 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.82 22.91 15.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.577 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.57 -42.83 99.33 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.6 p -77.53 -21.49 52.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -26.47 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.54 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -31.39 9.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.302 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.6 t -59.71 -43.82 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.453 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.67 -49.46 76.41 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.289 0.566 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.74 -41.9 82.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.831 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.429 ' O ' ' HD2' ' A' ' 20' ' ' PHE . 54.4 t -70.55 -33.27 52.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.85 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.641 ' O ' HD13 ' B' ' 19' ' ' LEU . 0.4 OUTLIER -54.71 -22.01 12.61 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.852 179.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 ' O ' ' E' ' 18' ' ' LEU . 14.2 tp -106.65 0.11 24.13 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.774 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.429 ' HD2' ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -53.32 -22.72 7.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.591 179.744 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -55.15 -17.42 4.19 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.972 179.425 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.63 ' N ' HD23 ' A' ' 21' ' ' LEU . . . -49.08 -24.27 1.53 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.236 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -70.8 -33.13 70.4 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.099 0.476 . . . . 0.0 111.196 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.731 HG13 HG11 ' B' ' 25' ' ' VAL . 0.4 OUTLIER -70.51 -29.24 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.526 -178.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.728 HG11 HG13 ' E' ' 24' ' ' VAL . 66.3 t -61.97 -47.64 92.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.424 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.49 -37.63 87.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.773 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.13 76.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.307 0.575 . . . . 0.0 110.486 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -44.16 92.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.107 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -28.57 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.96 -46.44 87.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.233 0.54 . . . . 0.0 110.018 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -40.96 98.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.485 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.94 -25.27 59.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.634 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 2.3 mt -63.76 -39.13 84.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.29 -37.25 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.35 -18.55 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -77.92 -1.87 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.964 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.91 105.81 0.08 Allowed 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 120.838 0.351 . . . . 0.0 110.272 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.633 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.9 23.03 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.65 -42.77 99.42 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 57.9 p -77.67 -21.41 52.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.71 0.29 . . . . 0.0 110.409 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -26.37 67.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.511 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -31.42 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.246 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.65 -43.93 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.476 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.73 -49.36 76.73 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.296 0.569 . . . . 0.0 110.916 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.62 -41.94 82.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.878 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.413 ' O ' ' HD2' ' B' ' 20' ' ' PHE . 54.2 t -70.49 -32.96 51.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.869 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.62 ' O ' HD13 ' C' ' 19' ' ' LEU . 0.4 OUTLIER -55.4 -20.25 11.57 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.085 179.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.641 HD13 ' O ' ' A' ' 18' ' ' LEU . 14.4 tp -109.05 1.64 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.595 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 0.6 OUTLIER -54.46 -22.37 12.53 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.489 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.635 HD23 ' N ' ' B' ' 22' ' ' ALA . 0.5 OUTLIER -55.34 -17.28 4.51 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.951 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.635 ' N ' HD23 ' B' ' 21' ' ' LEU . . . -49.28 -24.13 1.69 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.263 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' B' ' 24' ' ' VAL . 2.6 p90 -70.85 -33.15 70.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.084 0.469 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.712 HG13 HG11 ' C' ' 25' ' ' VAL . 0.4 OUTLIER -70.6 -29.12 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -178.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.731 HG11 HG13 ' A' ' 24' ' ' VAL . 67.1 t -62.05 -47.63 92.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.48 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.38 -37.71 87.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.914 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.59 -35.03 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.441 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.23 92.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.088 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -28.64 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -46.4 88.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.337 0.589 . . . . 0.0 110.053 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -41.0 98.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.81 -25.39 60.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.463 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.636 ' HA ' ' HB3' ' B' ' 36' ' ' ALA . 2.3 mt -63.72 -39.17 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.33 -37.23 16.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.29 -18.66 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.777 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' B' ' 33' ' ' ILE . . . -77.97 -1.84 33.99 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.954 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.95 105.75 0.08 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.946 0.403 . . . . 0.0 110.285 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.144 -0.932 . . . . 0.0 110.639 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.79 22.93 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.51 -42.76 99.22 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 58.5 p -77.7 -21.47 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -26.38 67.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.507 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.54 -31.48 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.282 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.68 -43.85 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.501 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.69 -49.51 76.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -57.43 -42.1 81.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.433 ' O ' ' HD2' ' C' ' 20' ' ' PHE . 54.6 t -70.65 -32.85 50.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.642 ' O ' HD13 ' D' ' 19' ' ' LEU . 0.4 OUTLIER -55.33 -20.49 11.71 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.084 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.62 HD13 ' O ' ' B' ' 18' ' ' LEU . 14.3 tp -108.9 1.59 20.89 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.502 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' C' ' 17' ' ' VAL . 0.6 OUTLIER -54.51 -22.35 12.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.618 HD23 ' N ' ' C' ' 22' ' ' ALA . 0.5 OUTLIER -55.37 -17.19 4.45 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.849 179.426 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.618 ' N ' HD23 ' C' ' 21' ' ' LEU . . . -49.29 -24.22 1.74 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.261 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' C' ' 24' ' ' VAL . 2.6 p90 -70.75 -33.17 70.53 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.091 0.472 . . . . 0.0 111.237 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.731 HG13 HG11 ' D' ' 25' ' ' VAL . 0.4 OUTLIER -70.57 -29.2 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.577 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . 0.712 HG11 HG13 ' B' ' 24' ' ' VAL . 65.7 t -61.94 -47.65 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.451 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.46 -37.64 87.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.892 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.61 -35.05 76.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.266 0.555 . . . . 0.0 110.428 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -44.2 92.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.109 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -28.52 45.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.126 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.359 0.6 . . . . 0.0 110.051 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.91 97.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.85 -25.4 60.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.489 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.624 ' HA ' ' HB3' ' C' ' 36' ' ' ALA . 2.3 mt -63.75 -39.17 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.38 -37.27 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -97.27 -18.58 19.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.803 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' C' ' 33' ' ' ILE . . . -77.9 -1.86 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.004 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.83 105.69 0.08 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.812 0.339 . . . . 0.0 110.315 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.623 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 81.9 p -108.91 22.9 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.51 -42.88 99.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 58.1 p -77.58 -21.46 52.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.303 . . . . 0.0 110.447 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -26.27 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.487 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -31.48 9.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.278 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.67 -43.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.49 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.71 -49.41 76.55 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.288 0.566 . . . . 0.0 110.918 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -57.67 -41.96 82.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HD2' ' D' ' 20' ' ' PHE . 54.4 t -70.54 -33.28 52.77 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.832 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.653 ' O ' HD13 ' E' ' 19' ' ' LEU . 0.4 OUTLIER -54.79 -21.91 12.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.427 -0.509 . . . . 0.0 109.85 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . 0.642 HD13 ' O ' ' C' ' 18' ' ' LEU . 14.1 tp -106.67 0.08 24.06 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.792 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' D' ' 17' ' ' VAL . 0.6 OUTLIER -53.35 -22.8 7.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.487 179.769 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.623 HD23 ' N ' ' D' ' 22' ' ' ALA . 0.5 OUTLIER -55.08 -17.47 4.06 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.95 179.403 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . 0.623 ' N ' HD23 ' D' ' 21' ' ' LEU . . . -48.98 -24.39 1.49 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.399 -0.521 . . . . 0.0 111.254 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . 0.404 ' CG ' ' N ' ' D' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.15 70.53 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.213 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.743 HG13 HG11 ' E' ' 25' ' ' VAL . 0.4 OUTLIER -70.48 -29.18 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.561 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.731 HG11 HG13 ' C' ' 24' ' ' VAL . 66.4 t -61.95 -47.72 91.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.427 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.45 -37.75 87.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.55 -35.02 76.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -44.19 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.081 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -28.49 45.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.207 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -46.49 87.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.225 0.536 . . . . 0.0 110.018 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -41.03 98.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.9 -25.24 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.498 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.628 ' HA ' ' HB3' ' D' ' 36' ' ' ALA . 2.3 mt -63.9 -39.02 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.35 -37.25 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.36 -18.49 19.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.783 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' D' ' 33' ' ' ILE . . . -77.97 -1.88 34.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.84 105.67 0.08 Allowed 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.365 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.661 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -108.86 23.04 15.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.602 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.87 99.36 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' THR . . . . . . . . . . . . . 58.1 p -77.56 -21.47 52.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.309 . . . . 0.0 110.432 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -26.41 67.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.518 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.53 -31.52 9.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.265 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.67 -43.8 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -61.75 -49.31 76.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.16 0.505 . . . . 0.0 110.931 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 73.6 m -57.8 -41.97 83.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.788 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HD2' ' E' ' 20' ' ' PHE . 53.9 t -70.36 -33.79 55.48 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.971 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' LEU . . . . . 0.617 ' O ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.54 -26.8 22.7 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' LEU . . . . . 0.653 HD13 ' O ' ' D' ' 18' ' ' LEU . 12.8 tp -96.33 -8.88 31.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.432 ' HD2' ' O ' ' E' ' 17' ' ' VAL . 0.5 OUTLIER -49.56 -23.27 1.56 Allowed 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.151 -0.343 . . . . 0.0 111.083 -176.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' LEU . . . . . 0.635 HD23 ' N ' ' E' ' 22' ' ' ALA . 0.5 OUTLIER -53.91 -19.08 4.02 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.911 179.068 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' ALA . . . . . 0.635 ' N ' HD23 ' E' ' 21' ' ' LEU . . . -48.21 -24.47 1.17 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.324 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' E' ' 24' ' ' VAL . 2.6 p90 -70.73 -33.27 70.66 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.114 0.483 . . . . 0.0 111.201 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.728 HG13 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -70.43 -29.21 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.587 -178.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . 0.743 HG11 HG13 ' D' ' 24' ' ' VAL . 67.5 t -62.06 -47.67 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.332 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.39 -37.75 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.881 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.52 -35.1 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.288 0.566 . . . . 0.0 110.415 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.27 -44.11 92.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.123 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.139 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.91 -46.46 87.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.085 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -40.94 98.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 -25.3 59.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.421 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.631 ' HA ' ' HB3' ' E' ' 36' ' ' ALA . 2.3 mt -63.76 -39.15 84.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.045 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.43 -37.17 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.503 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -97.37 -18.53 19.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.742 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' E' ' 33' ' ' ILE . . . -78.0 -1.83 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.983 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.84 105.75 0.08 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.286 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.705 -179.587 . . . . . . . . 1 1 . 1 stop_ save_